4-chloro-N-(1,3,4-thiadiazol-2-yl)-5-dithiazolimine
Basic information
- CAS
159753-47-6- Standard SMILES
Clc1nssc1=Nc1nncs1- InChIKey
ZHOOKWSKEFQZOG-UHFFFAOYSA-N- Molecular formula
- C4HClN4S3
- Average molar mass
- 236.7 g/mol
- Monoisotopic mass
- 235.9051873
Names & identifiers
- Preferred name
- 4-chloro-N-(1,3,4-thiadiazol-2-yl)-5-dithiazolimine
- IUPAC
- 4-chloro-N-(1,3,4-thiadiazol-2-yl)dithiazol-5-imine
Names & synonyms
MLS0024604714-Chloro-N-(1,3,4-thiadiazol-2-yl)-5H-1,2,3-dithiazol-5-imine4-chloro-N-(1,3,4-thiadiazol-2-yl)-5-dithiazolimineCHEMBL1397665DTXSID701164531HMS2199J22SMR001382688Q27164351
Database identifiers
- CAS
159753-47-6- PubChem CID
- 4453692
- DTXSID
DTXSID701164531- ChEMBL
CHEMBL1397665
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 242
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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