Basic information
- CAS
80886-98-2- Standard SMILES
S=C(Nc1nc2ccccc2s1)SSC(=S)Nc1nc2ccccc2s1- InChIKey
MKEDWEIDLCVJCX-UHFFFAOYSA-N- Molecular formula
- C16H10N4S6
- Average molar mass
- 450.7 g/mol
- Monoisotopic mass
- 449.92297338
Names & identifiers
- Preferred name
- 1,3-benzothiazol-2-ylcarbamothioylsulfanyl N-(1,3-benzothiazol-2-yl)carbamodithioate
- IUPAC
- 1,3-benzothiazol-2-ylcarbamothioylsulfanyl N-(1,3-benzothiazol-2-yl)carbamodithioate
Names & synonyms
SEO1W04YNGUNII-SEO1W04YNG80886-98-2N,N'-Bis(2-benzothiazolyl)thioperoxydicarbonicdiamideNSC 3273772-((1,3-Benzothiazol-2-ylamino)carbonothioyldithio-carbonothioyl-amino)-1,3-benzothiazole2-[(1,3-Benzothiazol-2-ylamino)carbonothioyldithio-carbonothioyl-amino]-1,3-benzothiazole1,3-benzothiazol-2-ylcarbamothioylsulfanyl N-(1,3-benzothiazol-2-yl)carbamodithioateCHEMBL3706722DS-011995N-benzothiazol-2-yl-1-(benzothiazol-2-ylthiocarbamoyldisulfanyl)methanethioamide
Database identifiers
- CAS
80886-98-2- PubChem CID
- 3000623
- ChEMBL
CHEMBL3706722- UNII
- SEO1W04YNG
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 221 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 489
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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