Basic information
- CAS
80745-82-0- Standard SMILES
Cc1cccc2sc(SSc3nc4c(C)cccc4s3)nc12- InChIKey
SSQNKTBATJCFLF-UHFFFAOYSA-N- Molecular formula
- C16H12N2S4
- Average molar mass
- 360.5 g/mol
- Monoisotopic mass
- 359.98833309
Names & identifiers
- Preferred name
- 2,2'-Disulfanediylbis(4-methyl-1,3-benzothiazole)
- IUPAC
- 4-methyl-2-[(4-methyl-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
Names & synonyms
80745-82-0Benzothiazole, 2,2'-dithiobis[4-methyl-SCHEMBL5460162,2'-Disulfanediylbis(4-methyl-1,3-benzothiazole)SCHEMBL29619542DTXSID90564469
Database identifiers
- CAS
80745-82-0- PubChem CID
- 14830341
- DTXSID
DTXSID90564469- Nikkaji
- J1.644.013B
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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