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2-methylisothiourea - 97%, high purity , CAS No.2986-19-8

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2-methylisothiourea - 97%, high purity , CAS No.2986-19-8

COA

Grade & Purity:

≥97%

Cas Number: 2986-19-8
MDL number: MFCD00129752 MFCD00013055
PubChem CID: 5142

In stock

Item Number

M633551

Grouped product items
SKU	Size	Availability	Price
M633551-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$39.90
M633551-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$86.90
M633551-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$171.90

Basic Description

Synonyms	SR-01000075165 \| methyl carbamimidothioate \| S-Methylthiopseudouronium iodide \| 2-Methylisothio urea \| BDBM50055282 \| HSCI1_000214 \| S-Methyl isothiourea \| NCGC00015664-02 \| Z2-S-methyl isothiourea \| 2-methyl-2-thiopseudourea \| Q27277336 \| S-Methylisothio
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Class Isothioureas

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Class	Isothioureas
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Isothioureas
Alternative Parents	Sulfenyl compounds Carboximidamides Organopnictogen compounds Imines Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Isothiourea - Sulfenyl compound - Carboximidamide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Imine - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as isothioureas. These are organic compounds containing the isothiourea group, with the general structure R1SC(=NR2)N(R3)R4 (R1,R2,R3,R4=H, alkyl, aryl).
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

NOS1 Tchem Nitric oxide synthase, brain (1 Activities)

Discover Target: NOS1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ARSA Tbio Cerebroside-sulfatase (655 Activities)

Discover Target: ARSA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NOS1 Tchem Nitric-oxide synthase, brain (1786 Activities)

Discover Target: NOS1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NOS3 Tchem Nitric-oxide synthase, endothelial (1452 Activities)

Discover Target: NOS3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NOS2 Tchem Nitric oxide synthase (inducible and endothelial) (128 Activities)

Discover Target: NOS2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Nos2 Nitric oxide synthase, inducible (3573 Activities)

Discover Target: Nos2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BV-2 (3710 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	methyl carbamimidothioate
INCHI	InChI=1S/C2H6N2S/c1-5-2(3)4/h1H3,(H3,3,4)
InChIKey	SDDKIZNHOCEXTF-UHFFFAOYSA-N
Smiles	CSC(=N)N
Isomeric SMILES	CSC(=N)N
Alternate CAS	2986-19-8,867-44-7 (sulfate2:1)
PubChem CID	5142
MeSH Entry Terms	2-methyl-2-pseudothiourea;2-methyl-2-thiopseudourea;2-methylisothiourea;bis(S-methylisothiouronium) sulfate;carbamimidothioic acid, methyl ester;methyl carbamimidothioate;methylisothiourea;methylisothiuronium;pseudourea, 2-methyl-2-thio-;pseudourea, 2-met

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	90.150 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	90.0252 Da
Monoisotopic Mass	90.0252 Da
Topological Polar Surface Area	75.200 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	42.900
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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