Basic information
- CAS
39042-12-1- Standard SMILES
CCOP(=O)(O)OCCSC(=N)N- InChIKey
XCBIEFSRDPVOJD-UHFFFAOYSA-N- Molecular formula
- C5H13N2O4PS
- Average molar mass
- 228.21 g/mol
- Monoisotopic mass
- 228.03336507
Names & identifiers
- Preferred name
- Phosphoric acid, O-(2-amidinothioethyl) O-ethyl ester
- IUPAC
- 2-[ethoxy(hydroxy)phosphoryl]oxyethyl carbamimidothioate
- English name
- Phosphoric acid hydrogen ethyl 2-[amino(imino)methylthio]ethyl ester
- Molecular formula
- C5H13N2O4PS
- Molecular weight
- 228.21
Names & synonyms
(2-Amidinothioethyl) ethylphosphate39042-12-12-(Formamidine-thio) ethyl ester of ethylphosphoric acidPhosphoric acid, O-(2-amidinothioethyl) O-ethyl esterPseudourea, 2-(2-hydroxyethyl)-2-thio-, ethylphosphite (ester)RefChem:3709872-{[ethoxy(hydroxy)phosphoryl]oxy}ethyl carbamimidothioateDTXSID40959881Carbamimidothioic acid, 2-[(ethoxyhydroxyphosphinyl)oxy]ethyl esterPhosphoric acid hydrogen ethyl 2-[amino(imino)methylthio]ethyl ester
Database identifiers
- CAS
39042-12-1- PubChem CID
- 217628
- DTXSID
DTXSID40959881- Nikkaji
- J50.341J
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 213
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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