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1-(3,5-Dichlorophenyl)-2-thiourea - 97%, high purity , CAS No.107707-33-5

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1-(3,5-Dichlorophenyl)-2-thiourea - 97%, high purity , CAS No.107707-33-5

COA

Grade & Purity:

≥97%

Cas Number: 107707-33-5
Molecular Weight: 221.11
PubChem CID: 2737539
PubChem SID: 504761382

In stock

Item Number

D189594

Grouped product items
SKU	Size	Availability	Price
D189594-1g	1g	3	$24.90
D189594-5g	5g	3	$86.90
D189594-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$391.90

Basic Description

Synonyms	107707-33-5 \| 3,5-dichlorophenylthiourea \| 1-(3,5-dichlorophenyl)thiourea \| (3,5-dichlorophenyl)thiourea \| N-(3,5-dichlorophenyl)thiourea \| 1-(3,5-Dichlorophenyl)-2-thiourea \| N-[3,5-dichlorophenyl]thiourea \| Thiourea, (3,5-dichlorophenyl)- \| NSC523950 \| Maybridge1_007644 \|
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass N-phenylthioureas

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	N-phenylthioureas
Intermediate Tree Nodes	Not available
Direct Parent	N-phenylthioureas
Alternative Parents	Dichlorobenzenes Aryl chlorides Thioureas Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	N-phenylthiourea - 1,3-dichlorobenzene - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Thiourea - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as n-phenylthioureas. These are compounds containing a N-phenylthiourea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a thiourea group.
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)

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

Associated Targets(non-human)

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

Pubchem Sid	504761382
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504761382
IUPAC Name	(3,5-dichlorophenyl)thiourea
INCHI	InChI=1S/C7H6Cl2N2S/c8-4-1-5(9)3-6(2-4)11-7(10)12/h1-3H,(H3,10,11,12)
InChIKey	BNJARXOEVLYKDN-UHFFFAOYSA-N
Smiles	C1=C(C=C(C=C1Cl)Cl)NC(=S)N
Isomeric SMILES	C1=C(C=C(C=C1Cl)Cl)NC(=S)N
Molecular Weight	221.11
Reaxy-Rn	3257049
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3257049&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
K1908160	Certificate of Analysis	Aug 11, 2023	D189594
G2305072	Certificate of Analysis	Jul 12, 2023	D189594
G2305082	Certificate of Analysis	Jul 10, 2023	D189594

Chemical and Physical Properties

Melt Point(°C)	175-179℃
Molecular Weight	221.110 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	219.963 Da
Monoisotopic Mass	219.963 Da
Topological Polar Surface Area	70.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	167.000
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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