Name: Name:1,5-Benzothiazepin-4(5H)-one, 8-chloro-2,3-dihydro-
Brand: Angene
SKU: AG007U68
Rating: 90 (10 reviews)

1,5-Benzothiazepin-4(5H)-one, 8-chloro-2,3-dihydro-

CAS No.:

110766-84-2

Catalog Number:

AG007U68

Molecular Formula:

C9H8ClNOS

Molecular Weight:

213.6839

Catalog Number:

AG007U68

Chemical Name:

1,5-Benzothiazepin-4(5H)-one, 8-chloro-2,3-dihydro-

CAS Number:

110766-84-2

Molecular Formula:

C9H8ClNOS

Molecular Weight:

213.6839

MDL Number:

MFCD24551369

IUPAC Name:

8-chloro-3,5-dihydro-2H-1,5-benzothiazepin-4-one

InChI:

InChI=1S/C9H8ClNOS/c10-6-1-2-7-8(5-6)13-4-3-9(12)11-7/h1-2,5H,3-4H2,(H,11,12)

InChI Key:

WYWKPNIAGOEYTD-UHFFFAOYSA-N

SMILES:

O=C1CCSc2c(N1)ccc(c2)Cl

Complexity:

212

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

213.002g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

213.679g/mol

Monoisotopic Mass:

213.002g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9