O,O-Diethyl N-carbamimidoylphosphoramidothioate
Basic information
- CAS
10539-37-4- Standard SMILES
CCOP(=S)(N=C(N)N)OCC- InChIKey
QOSLJPRIJQEMPD-UHFFFAOYSA-N- Molecular formula
- C5H14N3O2PS
- Average molar mass
- 211.23 g/mol
- Monoisotopic mass
- 211.05443487
Names & identifiers
- Preferred name
- O,O-Diethyl N-carbamimidoylphosphoramidothioate
- IUPAC
- 2-diethoxyphosphinothioylguanidine
- English name
- N-Amidinophosphoramidothioic acid O,O-diethyl ester
- Molecular formula
- C5H14N3O2PS
- Molecular weight
- 211.22
Names & synonyms
DTXSID20909506O,O-Diethyl N-carbamimidoylphosphoramidothioateRefChem:1093490DTXCID501338568N-Amidinophosphoramidothioic acid O,O-diethyl ester10539-37-4Diethyl N-amidinophosphoramidothionate2-diethoxyphosphinothioylguanidineBRN 1868918NSC 95203Phosphoramidothioic acid, amidino-, O,O-diethyl esterPhosphoramidothioic acid, N-amidino-, O,O-diethyl ester
Show more names
Phosphoramidothioic acid, amidino-, O,O-diethyl ester (7CI,8CI)
WLN: MUYZMPS&O2&O2NSC95203NSC-95203
Database identifiers
- CAS
10539-37-4- PubChem CID
- 96949
- DTXSID
DTXSID20909506- Nikkaji
- J50.360F
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Boiling point
- 259.2 · 259.2±23.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 6.05 · 6.05±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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