Basic information
- CAS
66799-55-1- Standard SMILES
CCOP(=S)(NC(=S)Nc1ccccc1NC(=S)NP(=S)(OCC)OCC)OCC- InChIKey
NQSSOGTWNDVCMV-UHFFFAOYSA-N- Molecular formula
- C16H28N4O4P2S4
- Average molar mass
- 530.6 g/mol
- Monoisotopic mass
- 530.04686408
Names & identifiers
- Preferred name
- 1-Diethoxyphosphinothioyl-3-[2-(diethoxyphosphinothioylcarbamothioylamino)phenyl]thiourea
- IUPAC
- 1-diethoxyphosphinothioyl-3-[2-(diethoxyphosphinothioylcarbamothioylamino)phenyl]thiourea
Names & synonyms
66799-55-1NSC2273901-diethoxyphosphinothioyl-3-[2-(diethoxyphosphinothioylcarbamothioylamino)phenyl]thioureaDTXSID50398060NSC-227390O,O,O',O'-Tetraethyl N,N'-(1,2-phenylenedicarbamothioyl)bis(phosphoramidothioate)
Database identifiers
- CAS
66799-55-1- PubChem CID
- 3933549
- DTXSID
DTXSID50398060
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 213 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 585
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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