Basic information
- CAS
329-21-5- Standard SMILES
CCOP(=S)(CC)Sc1ccc(C(C)(C)C)cc1- InChIKey
MRARSQDSGPVQSI-UHFFFAOYSA-N- Molecular formula
- C14H23OPS2
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.0927947
Names & identifiers
- Preferred name
- Ent 25765
- IUPAC
- (4-tert-butylphenyl)sulfanyl-ethoxy-ethyl-sulfanylidene-λ5-phosphane
- English name
- Ethyldithiophosphonic acid=S-[4-(1,1-dimethylethyl)phenyl]O-ethyl ester
- Molecular formula
- C14H23OPS2
- Molecular weight
- 302.435581
Names & synonyms
Stauffer N-3051S-(p-tert-Butylphenyl) O-ethyl ethylphosphonodithioateN 3051ENT 25,765ENT 25765S-p-tert-Butylphenyl O-ethyl ethylphosphonodithioateDTXSID5042370S-(4-(1,1-Dimethylethyl)phenyl) O-ethyl ethylphosphonodithioatePhosphonodithioic acid, ethyl-, S-(p-tert-butylphenyl) O-ethyl esterPhosphonodithioic acid, ethyl-, S-(4-(1,1-dimethylethyl)phenyl) O-ethyl esterRefChem:339598DTXCID3022370
Show more names
Ethyldithiophosphonic acid=S-[4-(1,1-dimethylethyl)phenyl]O-ethyl ester
329-21-5s-(4-tert-butylphenyl) o-ethyl ethylphosphonodithioateSCHEMBL5933378NS00123558
Database identifiers
- CAS
329-21-5- PubChem CID
- 67609
- DTXSID
DTXSID5042370- Nikkaji
- J34.639J
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- EPA Substance Registry System
- S-(p-tert-Butylphenyl) O-ethyl ethylphosphonodithioate (329-21-5)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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