N-(2-Chloroethyl)-N'-{5-[(propan-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea
Basic information
- CAS
62492-06-2- Standard SMILES
CC(C)Sc1nnc(NC(=O)NCCCl)s1- InChIKey
MXGSLZMGBSJMSZ-UHFFFAOYSA-N- Molecular formula
- C8H13ClN4OS2
- Average molar mass
- 280.8 g/mol
- Monoisotopic mass
- 280.0219311
Names & identifiers
- Preferred name
- N-(2-Chloroethyl)-N'-{5-[(propan-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea
- IUPAC
- 1-(2-chloroethyl)-3-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)urea
Names & synonyms
62492-06-2DTXSID60808089N-(2-Chloroethyl)-N'-{5-[(propan-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea
Database identifiers
- CAS
62492-06-2- PubChem CID
- 71385877
- DTXSID
DTXSID60808089
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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