Name: Name:Benzo[b]thiophene-3-carboxylic acid, 2-amino-4,5,6,7-tetrahydro-,1,1-dimethylethyl ester
Brand: Angene
SKU: AG00IHE8
Rating: 90 (10 reviews)

Benzo[b]thiophene-3-carboxylic acid, 2-amino-4,5,6,7-tetrahydro-,1,1-dimethylethyl ester

CAS No.:

92932-02-0

Catalog Number:

AG00IHE8

Molecular Formula:

C13H19NO2S

Molecular Weight:

253.3605

Catalog Number:

AG00IHE8

Chemical Name:

Benzo[b]thiophene-3-carboxylic acid, 2-amino-4,5,6,7-tetrahydro-,1,1-dimethylethyl ester

CAS Number:

92932-02-0

Molecular Formula:

C13H19NO2S

Molecular Weight:

253.3605

MDL Number:

MFCD02287893

IUPAC Name:

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

InChI:

InChI=1S/C13H19NO2S/c1-13(2,3)16-12(15)10-8-6-4-5-7-9(8)17-11(10)14/h4-7,14H2,1-3H3

InChI Key:

LBJBSHGWJTXGDG-UHFFFAOYSA-N

SMILES:

O=C(c1c(N)sc2c1CCCC2)OC(C)(C)C

Complexity:

300

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

253.114g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

253.36g/mol

Monoisotopic Mass:

253.114g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9