Basic information
- CAS
17702-78-2- Standard SMILES
CCOP(=S)(OC(C)C)Sc1nc(C)cc(C)n1- InChIKey
IQYJDJBTQWOOOH-UHFFFAOYSA-N- Molecular formula
- C11H19N2O2PS2
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.0625572
Names & identifiers
- Preferred name
- AI 3-27123
- IUPAC
- (4,6-dimethylpyrimidin-2-yl)sulfanyl-ethoxy-propan-2-yloxy-sulfanylidene-λ5-phosphane
Names & synonyms
17702-78-2AI 3-27123RefChem:1076239Stauffer R-5763R 5763ENT 27,123AI3-27123S-(4,6-Dimethyl-2-pyrimidinyl) O-ethyl O-(1-methylethyl) phosphorodithioatePhosphorodithioic acid, S-(4,6-dimethyl-2-pyrimidinyl) O-ethyl O-(1-methylethyl) esterPhosphorodithioic acid, S-(4,6-dimethyl-2-pyrimidinyl) O-ethyl O-isopropyl esterDTXSID60938890S-(4,6-Dimethylpyrimidin-2-yl) O-ethyl O-(propan-2-yl) phosphorodithioate
Show more names
S-(4,6-dimethylpyrimidin-2-yl) O-ethyl O-propan-2-yl phosphorodithioate
Database identifiers
- CAS
17702-78-2- PubChem CID
- 87259
- DTXSID
DTXSID60938890
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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