Name: Name:3-(4-bromobenzoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
Brand: Angene
SKU: AG019NNB
Rating: 90 (10 reviews)

3-(4-bromobenzoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

CAS No.:

793678-82-7

Catalog Number:

AG019NNB

Molecular Formula:

C16H16BrNOS

Molecular Weight:

350.2733

Catalog Number:

AG019NNB

Chemical Name:

3-(4-bromobenzoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

CAS Number:

793678-82-7

Molecular Formula:

C16H16BrNOS

Molecular Weight:

350.2733

MDL Number:

MFCD06363452

IUPAC Name:

(2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(4-bromophenyl)methanone

InChI:

InChI=1S/C16H16BrNOS/c1-9-2-7-12-13(8-9)20-16(18)14(12)15(19)10-3-5-11(17)6-4-10/h3-6,9H,2,7-8,18H2,1H3

InChI Key:

WPAFOYNQSRQPDJ-UHFFFAOYSA-N

SMILES:

CC1CCc2c(C1)sc(c2C(=O)c1ccc(cc1)Br)N

Complexity:

370

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

349.014g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

350.274g/mol

Monoisotopic Mass:

349.014g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

71.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.5