Methyl 3-Amino-4-chlorothiophene-2-carboxylate - CAS 632356-41-3

Name: Methyl 3-Amino-4-chlorothiophene-2-carboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB060316
Product Name:	Methyl 3-Amino-4-chlorothiophene-2-carboxylate
CAS:	632356-41-3
Synonyms:	3-Amino-4-chlorothiophen-2-carboxylic acid methyl ester

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 3-amino-4-chlorothiophene-2-carboxylate
Description:	Methyl 3-Amino-4-chlorothiophene-2-carboxylate is a useful research chemical used in the of thiophene derivatives as protein tyrosine phosphatase 1B (PTP1B) inhibitors.
Molecular Weight:	191.64
Molecular Formula:	C6H6NO2SCl
Canonical SMILES:	COC(=O)C1=C(C(=CS1)Cl)N
InChI:	InChI=1S/C6H6ClNO2S/c1-10-6(9)5-4(8)3(7)2-11-5/h2H,8H2,1H3
InChI Key:	UGZKUKBGCABYDB-UHFFFAOYSA-N
References:	Wan, Z., et al. Bioorganic Med. Chem. Lett. 17, 10, 2913-20, (2007).

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

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Complexity:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.9807773
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	190.9807773
Rotatable Bond Count:	2
Topological Polar Surface Area:	80.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3