Name: Name:Benzo[b]thiophen-2-ylmethanamine
Brand: Angene
SKU: AG00EB1L
Rating: 90 (10 reviews)

Benzo[b]thiophen-2-ylmethanamine

CAS No.:

6314-43-8

Catalog Number:

AG00EB1L

Molecular Formula:

C9H9NS

Molecular Weight:

163.2395

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

250mg

95%

1 week

United States

$166

- +

Product Description

Catalog Number:

AG00EB1L

Chemical Name:

Benzo[b]thiophen-2-ylmethanamine

CAS Number:

6314-43-8

Molecular Formula:

C9H9NS

Molecular Weight:

163.2395

MDL Number:

MFCD00965305

IUPAC Name:

1-benzothiophen-2-ylmethanamine

InChI:

InChI=1S/C9H9NS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5H,6,10H2

InChI Key:

WKYFWFHTABURGB-UHFFFAOYSA-N

SMILES:

NCc1cc2c(s1)cccc2

NSC Number:

40287

Properties

Complexity:

138

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

163.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

163.238g/mol

Monoisotopic Mass:

163.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title	Journal
Identification of novel CYP2A6 inhibitors by virtual screening.	Bioorganic & medicinal chemistry 20111201

Properties