Name: Name:7-chloro-3-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
Brand: Angene
SKU: AG01A6AC
Rating: 90 (10 reviews)

7-chloro-3-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

CAS No.:

1461708-89-3

Catalog Number:

AG01A6AC

Molecular Formula:

C10H10ClNOS

Molecular Weight:

227.7105

Catalog Number:

AG01A6AC

Chemical Name:

7-chloro-3-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

CAS Number:

1461708-89-3

Molecular Formula:

C10H10ClNOS

Molecular Weight:

227.7105

MDL Number:

MFCD25371766

IUPAC Name:

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

InChI:

InChI=1S/C10H10ClNOS/c1-6-5-14-9-3-2-7(11)4-8(9)12-10(6)13/h2-4,6H,5H2,1H3,(H,12,13)

InChI Key:

YXFZBULBIHBDBE-UHFFFAOYSA-N

SMILES:

O=C1Nc2cc(Cl)ccc2SCC1C

Complexity:

236

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

227.017g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

227.706g/mol

Monoisotopic Mass:

227.017g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5