Phosphonic acid, ethylthiomethyl-, dibutyl ester
Basic information
- CAS
74038-42-9- Standard SMILES
CCCCOP(=O)(CSCC)OCCCC- InChIKey
VTHBDGDHZUFKMP-UHFFFAOYSA-N- Molecular formula
- C11H25O3PS
- Average molar mass
- 268.36 g/mol
- Monoisotopic mass
- 268.12620283
Names & identifiers
- Preferred name
- Phosphonic acid, ethylthiomethyl-, dibutyl ester
- IUPAC
- 1-[butoxy(ethylsulfanylmethyl)phosphoryl]oxybutane
- English name
- (Ethylthiomethyl)phosphonic acid dibutyl ester
- Molecular weight
- 0
Names & synonyms
74038-42-9Phosphonic acid, ethylthiomethyl-, dibutyl esterDibutyl ethylmercaptomethylphosphonateEthylmercaptomethylphosphonic acid dibutyl esterJC5GUN7EN5NSC-194822DTXSID80224888RefChem:1095177DTXCID10147379NSC 194822dibutyl [(ethylsulfanyl)methyl]phosphonateNSC194822
Show more names
(Ethylthiomethyl)phosphonic acid dibutyl ester
Database identifiers
- CAS
74038-42-9- PubChem CID
- 99192
- DTXSID
DTXSID80224888- UNII
- JC5GUN7EN5
- Nikkaji
- J92.075D
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- FDA UNII
- 5 GUN7EN5 · JC5GUN7EN5
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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