Basic information
- CAS
75122-40-6- Standard SMILES
Cc1nnc(NC(=O)NCCCl)s1- InChIKey
YZYLLAUUBFWLPK-UHFFFAOYSA-N- Molecular formula
- C6H9ClN4OS
- Average molar mass
- 220.68 g/mol
- Monoisotopic mass
- 220.0185598
Names & identifiers
- Preferred name
- Urea, 1-(2-chloroethyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-
- IUPAC
- 1-(2-chloroethyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
Names & synonyms
1-(2-Chloroethyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)ureaNSC 160077BRN 501343175122-40-63-(2-Chloroethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ureaUrea, 1-(2-chloroethyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-DTXSID80226084RefChem:387351DTXCID80148575NSC160077NSC-160077N-(2-Chloroethyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)urea
Database identifiers
- CAS
75122-40-6- PubChem CID
- 98704
- DTXSID
DTXSID80226084- Nikkaji
- J83.900K
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 182
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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