Name: Name:2-Thiophenecarboxylic acid, 3-amino-4-cyano-5-(methylthio)-, methyl ester
Brand: Angene
SKU: AG000Z39
Rating: 90 (10 reviews)

2-Thiophenecarboxylic acid, 3-amino-4-cyano-5-(methylthio)-, methyl ester

CAS No.:

129332-45-2

Catalog Number:

AG000Z39

Molecular Formula:

C8H8N2O2S2

Molecular Weight:

228.2913

Catalog Number:

AG000Z39

Chemical Name:

2-Thiophenecarboxylic acid, 3-amino-4-cyano-5-(methylthio)-, methyl ester

CAS Number:

129332-45-2

Molecular Formula:

C8H8N2O2S2

Molecular Weight:

228.2913

MDL Number:

MFCD00052752

IUPAC Name:

methyl 3-amino-4-cyano-5-methylsulfanylthiophene-2-carboxylate

InChI:

InChI=1S/C8H8N2O2S2/c1-12-7(11)6-5(10)4(3-9)8(13-2)14-6/h10H2,1-2H3

InChI Key:

VBXBCNWDAJLZOC-UHFFFAOYSA-N

SMILES:

COC(=O)c1sc(c(c1N)C#N)SC

Complexity:

276

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

228.003g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

228.284g/mol

Monoisotopic Mass:

228.003g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

130A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2