Name: Name:Benzo[b]thiophene-2-carboxylic acid, 3-amino-4,5,6,7-tetrahydro-, methyl ester
Brand: Angene
SKU: AG000IE8
Rating: 90 (10 reviews)

Benzo[b]thiophene-2-carboxylic acid, 3-amino-4,5,6,7-tetrahydro-, methyl ester

CAS No.:

119205-38-8

Catalog Number:

AG000IE8

Molecular Formula:

C10H13NO2S

Molecular Weight:

211.2807

Catalog Number:

AG000IE8

Chemical Name:

Benzo[b]thiophene-2-carboxylic acid, 3-amino-4,5,6,7-tetrahydro-, methyl ester

CAS Number:

119205-38-8

Molecular Formula:

C10H13NO2S

Molecular Weight:

211.2807

MDL Number:

MFCD05665152

IUPAC Name:

methyl 3-amino-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

InChI:

InChI=1S/C10H13NO2S/c1-13-10(12)9-8(11)6-4-2-3-5-7(6)14-9/h2-5,11H2,1H3

InChI Key:

WBBFZXDFNCRFGM-UHFFFAOYSA-N

SMILES:

COC(=O)c1sc2c(c1N)CCCC2

Complexity:

234

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

211.067g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

211.279g/mol

Monoisotopic Mass:

211.067g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9