Basic information
- CAS
6096-16-8- Standard SMILES
CCOP(=S)(OCC)SCC(=O)Nc1ccc([N+](=O)[O-])cc1- InChIKey
SNWBUAHQUWURFW-UHFFFAOYSA-N- Molecular formula
- C12H17N2O5PS2
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.03165099
Names & identifiers
- Preferred name
- Phosphorodithioic acid, O,O-diethyl ester, S-ester with 2-mercapto-4'-nitroacetanilide
- IUPAC
- 2-diethoxyphosphinothioylsulfanyl-N-(4-nitrophenyl)acetamide
Names & synonyms
BRN 2951751Phosphorodithioic acid, O,O-diethyl ester, S-ester with 2-mercapto-4'-nitroacetanilide6096-16-84-12-00-01654 (Beilstein Handbook Reference)DTXSID30209802RefChem:371096DTXCID40132293O,O-Diethyl S-[2-(4-nitroanilino)-2-oxoethyl] phosphorodithioate
Database identifiers
- CAS
6096-16-8- PubChem CID
- 201495
- DTXSID
DTXSID30209802
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 414
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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