1-Imidazolidinecarbonyl chloride, 2-thioxo-
Basic information
- CAS
37627-16-0- Standard SMILES
O=C(Cl)N1CCNC1=S- InChIKey
RUZNGTORRLNXHV-UHFFFAOYSA-N- Molecular formula
- C4H5ClN2OS
- Average molar mass
- 164.61 g/mol
- Monoisotopic mass
- 163.9811117
Names & identifiers
- Preferred name
- 1-Imidazolidinecarbonyl chloride, 2-thioxo-
- IUPAC
- 2-sulfanylideneimidazolidine-1-carbonyl chloride
- English name
- 1-Imidazolidinecarbonyl chloride, 2-thioxo- (9CI)
- Molecular formula
- C4H5ClN2OS
- Molecular weight
- 164.61
Names & synonyms
37627-16-01-IMIDAZOLIDINECARBONYL CHLORIDE, 2-THIOXO-2-sulfanyl-4,5-dihydro-1H-imidazole-1-carbonyl chloride2-sulfanylideneimidazolidine-1-carbonyl chlorideSCHEMBL11685172DTXSID60512553RUZNGTORRLNXHV-UHFFFAOYSA-N1-Chlorocarbonyl-imidazolidine-2-thione1-IMIDAZOLIDINECARBONYLCHLORIDE,2-THIOXO-EN300-16117571-Imidazolidinecarbonyl chloride, 2-thioxo- (9CI)
Database identifiers
- CAS
37627-16-0- PubChem CID
- 12900322
- DTXSID
DTXSID60512553
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Boiling point
- 232.1 · 232.1±23.0 °C(Predicted)
- Density
- 1.57 · 1.57±0.1 g/cm3(Predicted)
- pka
- 13.42 · 13.42±0.20(Predicted)
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Related reactions
7 records
Compound notes
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