(4S)-6-Chloro-1,1-dioxo-3,4-dihydro-2H-thieno(3,2-e)thiazin-4-ol

C₆H₆ClNO₃S₂CAS 160982-16-1239.69 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Sulfonamide

Properties

Molecular formula: C₆H₆ClNO₃S₂
Molar mass: 239.69 g/mol
Exact mass: 238.9478 Da
logP: 0.73Crippen estimate
Polar surface area: 66.4 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 0
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

160982-16-1

SMILES

C1[C@H](C2=C(SC(=C2)Cl)S(=O)(=O)N1)O

InChIKey

OFJGKGNJDCLNPM-SCSAIBSYSA-N

InChI

InChI=1S/C6H6ClNO3S2/c7-5-1-3-4(9)2-8-13(10,11)6(3)12-5/h1,4,8-9H,2H2/t4-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

(S)-6-Chloro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda*6*-thieno[3,2-E][1,2]thiazin-4-ol

Work with (4S)-6-Chloro-1,1-dioxo-3,4-dihydro-2H-thieno(3,2-e)thiazin-4-ol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-(2-Hydroxypropyl)benzenesulfonamide35325-02-131 % similar Clorprenaline3811-25-430 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Acetyl-5-chloro-2-thiophenesulfonamide160982-10-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook