Benzothiazolium, 3-methyl-2-(methylthio)-

HCID 29932
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Basic information

CAS
46045-65-2
Standard SMILES
CSc1sc2ccccc2[n+]1C
InChIKey
IKGZOUOHCCARCC-UHFFFAOYSA-N
Molecular formula
C9H10NS2+
Average molar mass
196.3 g/mol
Monoisotopic mass
196.02491774

Names & identifiers

Preferred name
Benzothiazolium, 3-methyl-2-(methylthio)-
IUPAC
3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium
English name
2-(Methylthio)-3-methylbenzothiazole-3-ium
Molecular formula
C9H10NS2+
Molecular weight
196.31

Names & synonyms

benzothiazolium, 3-methyl-2-(methylthio)-3-methyl-2-methylthiobenzothiazole46045-65-2Enamine_0002683-methyl-2-(methylsulfanyl)-1,3-benzothiazol-3-iumSCHEMBL4822992DTXSID20274887IKGZOUOHCCARCC-UHFFFAOYSA-NHMS1394M043-methyl-2-methylthio benzothiazoliumAKOS002211715ST50143277
Show more names
3-Methyl-2-(methylthio)benzothiazol-3-ium2-(Methylthio)-3-methylbenzothiazole-3-ium

Database identifiers

CAS
46045-65-2
PubChem CID
29932
DTXSID
DTXSID20274887
Nikkaji
J231.826A、J264.885G

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
57.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
12

Related reactions

1 records
New reaction record

Compound notes

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