AG00725E

4651-93-8 | Methyl 2-amino-4,5-dimethylthiophene-3-carboxylate

AG00725E

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CAS Number	4651-93-8
Catalog Number	AG00725E(AGN-PC-0JWJ9E)
Chemical Name	Methyl 2-amino-4,5-dimethylthiophene-3-carboxylate
IUPAC Name	methyl 2-amino-4,5-dimethylthiophene-3-carboxylate
InChI	InChI=1S/C8H11NO2S/c1-4-5(2)12-7(9)6(4)8(10)11-3/h9H2,1-3H3
InChI Key	MZBOBUPJGXDOFT-UHFFFAOYSA-N
MDL Number	MFCD00461707
Molecular Formula	C8H11NO2S
Molecular Weight	185.2434
SMILES	O=C(C1=C(N)SC(C)=C1C)OC
Synonyms	methyl 2-amino-4,5-dimethylthiophene-3-carboxylate, 4651-93-8, 2-Amino-4,5-dimethylthiophene-3-carboxylic acid methyl ester, 2-Amino-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester, PubChem5224, AC1LGDRS, AC1Q42J0, AC1Q5Z29, SCHEMBL1063435, CTK4I9427, KS-00003KCV, DTXSID50356105, ZINC335399, ALBB-001576, 4031AE, BBL007189, MFCD00461707, SBB017311, STK346607, AKOS000265529, CCG-200208, FS-1354, MCULE-4634781170, QC-6122, AK324245, ST078272, ZB010781, AB0096502, DB-070738, TR-017417, FT-0678501, EN300-04443, L-3102, AK-968/37166326, I05-2291, methyl 2-amino-4,5-dimethyl-3-thiophenecarboxylate, F0917-7527, 2-amino-4,5-dimethylthiophene-3-carboxylic acidmethyl ester, 2-Amino-4,5-dimethyl-thiophene-3-carboxylic acidmethyl ester, 3-Thiophenecarboxylicacid, 2-amino-4,5-dimethyl-, methyl ester, C8H11NO2S, AR-1J4674, CID819623, ZINC00335399, 4736-29-2,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.051g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	185.241g/mol
Monoisotopic Mass	185.051g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	80.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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