(4-Nitrophenyl)methyl (3,4-dichlorophenyl)carbamodithioate
Basic information
- CAS
69243-61-4- Standard SMILES
O=[N+]([O-])c1ccc(CSC(=S)Nc2ccc(Cl)c(Cl)c2)cc1- InChIKey
SGIDWDLFUQFETQ-UHFFFAOYSA-N- Molecular formula
- C14H10Cl2N2O2S2
- Average molar mass
- 373.3 g/mol
- Monoisotopic mass
- 371.9560753
Names & identifiers
- Preferred name
- (4-Nitrophenyl)methyl (3,4-dichlorophenyl)carbamodithioate
- IUPAC
- (4-nitrophenyl)methyl N-(3,4-dichlorophenyl)carbamodithioate
Names & synonyms
69243-61-4NSC290768(4-Nitrophenyl)methyl (3,4-dichlorophenyl)carbamodithioateDTXSID70401126NSC-290768
Database identifiers
- CAS
69243-61-4- PubChem CID
- 4240922
- DTXSID
DTXSID70401126
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 401
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Compound notes
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