Basic information
- CAS
38090-82-3- Standard SMILES
CCOP(=S)(OCC)SCc1nnc(OC)s1- InChIKey
OTKCZSVGOXDQII-UHFFFAOYSA-N- Molecular formula
- C8H15N2O3PS3
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 313.99824286
Names & identifiers
- Preferred name
- Phosphorodithioic acid, O,O-diethyl S-((5-methoxy-1,3,4-thiadiazol-2-yl)methyl) ester
- IUPAC
- diethoxy-[(5-methoxy-1,3,4-thiadiazol-2-yl)methylsulfanyl]-sulfanylidene-λ5-phosphane
- English name
- diethoxy-[(5-methoxy-1,3,4-thiadiazol-2-yl)methylsulfanyl]-sulfanylide ne-phosphorane
- Molecular formula
- C8H15N2O3PS3
- Molecular weight
- 314.385061
Names & synonyms
BRN 100569238090-82-3Phosphorodithioic acid, O,O-diethyl S-((5-methoxy-1,3,4-thiadiazol-2-yl)methyl) esterRefChem:371119o,o-diethyl s-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl] phosphorodithioateO,O-Diethyl S-((5-methoxy-1,3,4-thiadiazol-2-yl)methyl) phosphorodithioateDTXSID30959032diethoxy-[(5-methoxy-1,3,4-thiadiazol-2-yl)methylsulfanyl]-sulfanylide ne-phosphorane
Database identifiers
- CAS
38090-82-3- PubChem CID
- 217070
- DTXSID
DTXSID30959032
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 262
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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