Carbamic acid, (2-chloroethyl)thio-, S-p-chlorophenyl ester
Basic information
- CAS
22039-90-3- Standard SMILES
O=C(NCCCl)Sc1ccc(Cl)cc1- InChIKey
KHKHBGRLFYDZKL-UHFFFAOYSA-N- Molecular formula
- C9H9Cl2NOS
- Average molar mass
- 250.14 g/mol
- Monoisotopic mass
- 248.9781905
Names & identifiers
- Preferred name
- Carbamic acid, (2-chloroethyl)thio-, S-p-chlorophenyl ester
- IUPAC
- S-(4-chlorophenyl) N-(2-chloroethyl)carbamothioate
Names & synonyms
22039-90-32-Chloroethylthiocarbamic acid, S-p-chlorophenyl esterNSC 160179BRN 2525524DTXSID80176510CARBAMIC ACID, (2-CHLOROETHYL)THIO-, S-p-CHLOROPHENYL ESTER(2-Chloroethyl)-thiocarbamic acid p-chlorophenyl esterRefChem:331935DTXCID2099001NSC160179NSC-160179DS-007413
Show more names
S-(4-chlorophenyl) (2-chloroethyl)carbamothioateCARBAMIC ACID,(2-CHLOROETHYL)THIO-, S-(P-CHLOROPHENYL) ESTER (8CI)
Database identifiers
- CAS
22039-90-3- PubChem CID
- 30900
- DTXSID
DTXSID80176510- Nikkaji
- J67.552K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 184
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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