2-Ethyl-1H-imidazole-4-carbodithioic acid
Basic information
- CAS
84824-78-2- Standard SMILES
CCc1ncc(C(=S)S)[nH]1- InChIKey
QLTXPYPAYKMBTK-UHFFFAOYSA-N- Molecular formula
- C6H8N2S2
- Average molar mass
- 172.3 g/mol
- Monoisotopic mass
- 172.01289061
Names & identifiers
- Preferred name
- 2-Ethyl-1H-imidazole-4-carbodithioic acid
- IUPAC
- 2-ethyl-1H-imidazole-5-carbodithioic acid
- English name
- 2-ethyl-1H-imidazole-4-carbodithioic acid
- Molecular formula
- C6H8N2S2
- Molecular weight
- 172.27112
Names & synonyms
2-Ethyl-1H-imidazole-4-carbodithioic acid84824-78-2EINECS 284-229-32-ethyl-1H-imidazole-5-carbodithioic acidSCHEMBL3624925DTXSID80233879QLTXPYPAYKMBTK-UHFFFAOYSA-NNS00038670
Database identifiers
- CAS
84824-78-2- PubChem CID
- 3020152
- DTXSID
DTXSID80233879- EC Number
- 284-229-3
- Nikkaji
- J309.485E
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 138
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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