Basic information
- CAS
43088-08-0- Standard SMILES
S=C=Nc1ccc(-c2nc3ccccc3s2)cc1- InChIKey
NKCCRUUAGLJWPU-UHFFFAOYSA-N- Molecular formula
- C14H8N2S2
- Average molar mass
- 268.4 g/mol
- Monoisotopic mass
- 268.01289061
Names & identifiers
- Preferred name
- 2-(4-Isothiocyanatophenyl)benzothiazole
- IUPAC
- 2-(4-isothiocyanatophenyl)-1,3-benzothiazole
Names & synonyms
2-(4-isothiocyanatophenyl)benzothiazole43088-08-02-(4-isothiocyanatophenyl)-1,3-benzothiazoleDTXSID60195683
Database identifiers
- CAS
43088-08-0- PubChem CID
- 181746
- DTXSID
DTXSID60195683
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 85.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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