3-Butyl-1,1-bis(2-chloroethyl)thiourea
Basic information
- CAS
90645-21-9- Standard SMILES
CCCCNC(=S)N(CCCl)CCCl- InChIKey
MOJWNDCGNXCITP-UHFFFAOYSA-N- Molecular formula
- C9H18Cl2N2S
- Average molar mass
- 257.22 g/mol
- Monoisotopic mass
- 256.0567751
Names & identifiers
- Preferred name
- 3-Butyl-1,1-bis(2-chloroethyl)thiourea
- IUPAC
- 3-butyl-1,1-bis(2-chloroethyl)thiourea
Names & synonyms
90645-21-93-butyl-1,1-bis(2-chloroethyl)thioureaNSC59441DTXSID20397944NSC-59441N'-Butyl-N,N-bis(2-chloroethyl)thiourea
Database identifiers
- CAS
90645-21-9- PubChem CID
- 3916987
- DTXSID
DTXSID20397944
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 47.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 150
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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