Basic information
- CAS
18729-79-8- Standard SMILES
CCCSP(C)(=S)Oc1csc2ccccc12- InChIKey
HVSSNEBKWQZFEX-UHFFFAOYSA-N- Molecular formula
- C12H15OPS3
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.00226562
Names & identifiers
- Preferred name
- Phosphonodithioic acid, methyl-, O-(benzo(b)thien-4-yl) S-propyl ester
- IUPAC
- 1-benzothiophen-3-yloxy-methyl-propylsulfanyl-sulfanylidene-λ5-phosphane
- English name
- Phosphonodithioic acid, methyl-, O-(benzo(b)thien-4-yl) S-propyl ester
- Molecular formula
- C12H15OPS3
- Molecular weight
- 302.42
Names & synonyms
RefChem:109524718729-79-8Phosphonodithioic acid, methyl-, O-(benzo(b)thien-4-yl) S-propyl esterMobil MC-327ENT 27,372MC-327o-1-benzothiophen-3-yl s-propyl methylphosphonodithioateO-Benzo(B)thien-4-yl S-propyl methylphosphonodithioateSCHEMBL31624812DTXSID50940200O-(1-Benzothiophen-3-yl) S-propyl methylphosphonodithioateENT-27372
Show more names
NSC-30160Methylphosphonodithioic acid O-(benzo[b]thiophen-4-yl)=S-propyl esterPhosphonodithioic acid, methyl-, O-benzo[b]thien-4-yl S-propyl ester (8CI,9CI)
Database identifiers
- CAS
18729-79-8- PubChem CID
- 87764
- DTXSID
DTXSID50940200
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Boiling point
- 415.5 · 415.5±37.0 °C(Predicted)
- Density
- 1.3 · 1.300±0.06 g/cm3(Predicted)
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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