IUPAC Traditional

3-[(2Z)-5-chloro-2-(2-sulfanylidenepropylidene)-2,3-dihydro-1,3-benzothiazol-3-yl]propane-1-sulfonate

Compound number MolPort-001-920-021
Molecular weight 362.88
InChI key VFBVESVFBNWFFS-QPEQYQDCSA-M
Molecular formula C13H13ClNO3S3
DMSO Solubility Unknown
SMILES CC(=S)\C=C1/Sc2ccc(Cl)cc2N1CCCS([O-])(=O)=O
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More Information

Compound Identifiers

Compound number
MolPort-001-920-021

Names, Synonyms and 3rd Party Identifiers

Name
3-[(2Z)-5-chloro-2-(2-sulfanylidenepropylidene)-2,3-dihydro-1,3-benzothiazol-3-yl]propane-1-sulfonate
3-[(2Z)-5-chloro-2-(2-thioxopropylidene)-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonate
3-[5-Chloro-2-(2-thioxo-propylidene)-benzothiazol-3-yl]-propane-1-sulfonic acid anion
3-[5-chloro-2-(2-thioxopropylidene)-3-hydrobenzothiazol-3-yl]propanesulfonic a cid
sodium 3-[5-Chloro-2-(2-thioxo-propylidene)-benzothiazol-3-yl]-propane-1-sulfonic acid
MFCD00643218

InChI

InChI
1/C13H14ClNO3S3/c1-9(19)7-13-15(5-2-6-21(16,17)18)11-8-10(14)3-4-12(11)20-13/h3-4,7-8H,2,5-6H2,1H3,(H,16,17,18)/p-1/b13-7-
InChI key
VFBVESVFBNWFFS-QPEQYQDCSA-M

Formula

Molecular formula
C13H13ClNO3S3
Molecular weight
362.88

Google Scholar Data

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