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tert-butyl N-(3-methylisothiazol-4-yl)carbamate - 97%, high purity , CAS No.876191-56-9

COA

Grade & Purity:

≥97%

Cas Number: 876191-56-9
Molecular Weight: 214.28
PubChem CID: 45790250

In stock

Item Number

T634848

Grouped product items
SKU	Size	Availability	Price
T634848-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$169.90
T634848-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$271.90
T634848-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$453.90
T634848-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$679.90
T634848-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,401.90

Basic Description

Synonyms	876191-56-9 \| 4-N-boc amino-3-methyl isothiazole \| tert-butyl N-(3-methyl-1,2-thiazol-4-yl)carbamate \| tert-Butyl (3-methylisothiazol-4-yl)carbamate \| (3-methyl-isothiazol-4-yl)-carbamic acid tert-butyl ester \| SCHEMBL3865123 \| CHEMBL4981850 \| 4-(Boc-amin
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Thiazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Thiazoles
Intermediate Tree Nodes	Not available
Direct Parent	Thiazoles
Alternative Parents	Heteroaromatic compounds Carbamate esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Heteroaromatic compound - Carbamic acid ester - Thiazole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as thiazoles. These are heterocyclic compounds containing a five-member aromatic ring made up of one sulfur atom, one nitrogen, and three carbon atoms.
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

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	tert-butyl N-(3-methyl-1,2-thiazol-4-yl)carbamate
INCHI	InChI=1S/C9H14N2O2S/c1-6-7(5-14-11-6)10-8(12)13-9(2,3)4/h5H,1-4H3,(H,10,12)
InChIKey	KIQMUEBPBWDMKO-UHFFFAOYSA-N
Smiles	CC1=NSC=C1NC(=O)OC(C)(C)C
Isomeric SMILES	CC1=NSC=C1NC(=O)OC(C)(C)C
PubChem CID	45790250
Molecular Weight	214.28

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	214.290 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	214.078 Da
Monoisotopic Mass	214.078 Da
Topological Polar Surface Area	79.500 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	215.000
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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