Name: Name:2-Thiophenecarboxylic acid, 3-amino-4-cyano-, methyl ester
Brand: Angene
SKU: AG0006OB
Rating: 90 (10 reviews)

2-Thiophenecarboxylic acid, 3-amino-4-cyano-, methyl ester

CAS No.:

102123-28-4

Catalog Number:

AG0006OB

Molecular Formula:

C7H6N2O2S

Molecular Weight:

182.1997

Catalog Number:

AG0006OB

Chemical Name:

2-Thiophenecarboxylic acid, 3-amino-4-cyano-, methyl ester

CAS Number:

102123-28-4

Molecular Formula:

C7H6N2O2S

Molecular Weight:

182.1997

MDL Number:

MFCD00052590

IUPAC Name:

methyl 3-amino-4-cyanothiophene-2-carboxylate

InChI:

InChI=1S/C7H6N2O2S/c1-11-7(10)6-5(9)4(2-8)3-12-6/h3H,9H2,1H3

InChI Key:

AEWVEROSMGRHRG-UHFFFAOYSA-N

SMILES:

COC(=O)c1scc(c1N)C#N

Complexity:

235

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

182.015g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

182.197g/mol

Monoisotopic Mass:

182.015g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

104A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4