Basic information
- CAS
13604-13-2- Standard SMILES
C=CSc1nc2ccccc2s1- InChIKey
UBPTXCHOFYAPNG-UHFFFAOYSA-N- Molecular formula
- C9H7NS2
- Average molar mass
- 193.3 g/mol
- Monoisotopic mass
- 193.00199157
Names & identifiers
- Preferred name
- 2-(Ethenylsulfanyl)-1,3-benzothiazole
- IUPAC
- 2-ethenylsulfanyl-1,3-benzothiazole
- English name
- Benzothiazole, 2-(ethenylthio)- (9CI)
- Molecular formula
- C9H7NS2
- Molecular weight
- 193.29
Names & synonyms
13604-13-22-(Ethenylsulfanyl)-1,3-benzothiazoleDTXSID50325452RefChem:253958DTXCID802765692-ethenylsulfanyl-1,3-benzothiazoleBenzothiazole, 2-(ethenylthio)- (9CI)NSC5080912-vinylthiobenzothiazoleSCHEMBL820491Benzothiazole, 2-(ethenylthio)-NSC-508091
Show more names
DB-285806
Database identifiers
- CAS
13604-13-2- PubChem CID
- 350163
- DTXSID
DTXSID50325452- Nikkaji
- J1.099.838G
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 172
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…