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Methyl 2-Amino-4-methylthiophene-3-carboxylate

Methyl 2-Amino-4-methylthiophene-3-carboxylate - CAS 4651-98-3

Catalog:	BB026149
Product Name:	Methyl 2-Amino-4-methylthiophene-3-carboxylate
CAS:	4651-98-3
Synonyms:	2-amino-4-methyl-3-thiophenecarboxylic acid methyl ester; methyl 2-amino-4-methylthiophene-3-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 2-amino-4-methylthiophene-3-carboxylate
Description:	Methyl 2-Amino-4-methylthiophene-3-carboxylate (CAS# 4651-98-3) is a useful research chemical.
Molecular Weight:	171.22
Molecular Formula:	C7H9NO2S
Canonical SMILES:	CC1=CSC(=C1C(=O)OC)N
InChI:	InChI=1S/C7H9NO2S/c1-4-3-11-6(8)5(4)7(9)10-2/h3H,8H2,1-2H3
InChI Key:	PLLLBSPBFALBFB-UHFFFAOYSA-N
Appearance:	Solid
LogP:	2.00650

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.0353997
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	171.0353997
Rotatable Bond Count:	2
Topological Polar Surface Area:	80.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2