Name: Name:2H-1,6-Benzothiazocin-5(6H)-one, 8-chloro-3,4-dihydro-
Brand: Angene
SKU: AG002GXD
Rating: 90 (10 reviews)

2H-1,6-Benzothiazocin-5(6H)-one, 8-chloro-3,4-dihydro-

CAS No.:

18850-35-6

Catalog Number:

AG002GXD

Molecular Formula:

C10H10ClNOS

Molecular Weight:

227.7105

Catalog Number:

AG002GXD

Chemical Name:

2H-1,6-Benzothiazocin-5(6H)-one, 8-chloro-3,4-dihydro-

CAS Number:

18850-35-6

Molecular Formula:

C10H10ClNOS

Molecular Weight:

227.7105

IUPAC Name:

8-chloro-2,3,4,6-tetrahydro-1,6-benzothiazocin-5-one

InChI:

InChI=1S/C10H10ClNOS/c11-7-3-4-9-8(6-7)12-10(13)2-1-5-14-9/h3-4,6H,1-2,5H2,(H,12,13)

InChI Key:

WTVBWSODDCUAAV-UHFFFAOYSA-N

SMILES:

O=C1CCCSc2c(N1)cc(Cl)cc2

EC Number:

242-622-7

Complexity:

224

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:

2.3