Basic information
- Standard SMILES
CP(=O)(OCCCl)C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccccc1- InChIKey
DANXHVAFUSYGIS-UHFFFAOYSA-N- Molecular formula
- C18H21Cl2N2O2PS
- Average molar mass
- 431.3 g/mol
Names & identifiers
- Preferred name
- 2-Chloroethyl [1-(3-phenylthioureido)-2-(p-chlorophenyl) ethyl]methylphosphinate
- IUPAC
- 1-[1-[2-chloroethoxy(methyl)phosphoryl]-2-(4-chlorophenyl)ethyl]-3-phenylthiourea
Names & synonyms
DANXHVAFUSYGIS-UHFFFAOYSA-N2-chloroethyl [1-(3-phenylthioureido)-2-(p-chlorophenyl) ethyl]methylphosphinate
Database identifiers
- PubChem CID
- 53750179
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 484
Related reactions
2 records
Compound notes
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