Basic information
- CAS
705-69-1- Standard SMILES
CSC(=S)Nc1ccc(Cl)cc1- InChIKey
KKVFZIARMREJRL-UHFFFAOYSA-N- Molecular formula
- C8H8ClNS2
- Average molar mass
- 217.7 g/mol
- Monoisotopic mass
- 216.9786693
Names & identifiers
- Preferred name
- Methyl N-(4-chlorophenyl)carbamodithioate
- IUPAC
- methyl N-(4-chlorophenyl)carbamodithioate
- English name
- 4-Chlorophenyldithiocarbamic acid methyl ester
- Molecular formula
- C8H8ClNS2
- Molecular weight
- 217.74
Names & synonyms
705-69-1CARBANILIC ACID, p-CHLORODITHIO-, METHYL ESTERmethyl N-(4-chlorophenyl)carbamodithioateCarbamodithioic acid, (4-chlorophenyl)-, methyl esterDTXSID20220768RefChem:1089604DTXCID50143259p-Chlorodithiocarbanilic acid methyl esterS-Methyl-N-(4-chlor-phenyl)-dithiocarbamat4-Chlorophenyldithiocarbamic acid methyl esterNSC-35824NSC 35824
Show more names
p-Chlorophenyldithiocarbamic acid methyl esterCarbamodithioic acid, N-(4-chlorophenyl)-, methyl ester
BRN 2803931AI3-31547S-Methyl-N-(4-chlor-phenyl)-dithiocarbamat [German]Maybridge3_000348WLN: SUYS1&MR DG3-12-00-01375 (Beilstein Handbook Reference)SCHEMBL8977675U5VK744M4J
Database identifiers
- CAS
705-69-1- PubChem CID
- 2799331
- DTXSID
DTXSID20220768- UNII
- U5VK744M4J
- Nikkaji
- J33.942C
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- FDA UNII
- 5 VK744M4J · U5VK744M4J
Chemistry & industry
Suppliers1 total
MolMall Sarl[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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