O-Ethyl S-sec-Butyl Thiophosphoryl Chloride - CAS 51748-05-1
Catalog: |
BB055965 |
Product Name: |
O-Ethyl S-sec-Butyl Thiophosphoryl Chloride |
CAS: |
51748-05-1 |
Synonyms: |
S-sec-Butyl O-Ethyl Phosphorochloridothioate; O-Ethyl S-sec-Butyl Chlorothiophosphate; O-Ethyl S-(1-Methylpropyl) Phosphorochloridothioate |
IUPAC Name: | 2-[chloro(ethoxy)phosphoryl]sulfanylbutane |
Description: | O-Ethyl S-sec-Butyl Thiophosphoryl Chloride is an intermediate in the synthesis of ASC 67131 (A101260) which is a pesticide for the control of nematodes affecting tomatoes in agriculture. Fosthiazate metabolite. |
Molecular Weight: | 216.66 |
Molecular Formula: | C6H14ClO2PS |
Canonical SMILES: | CCC(C)SP(=O)(OCC)Cl |
InChI: | InChI=1S/C6H14ClO2PS/c1-4-6(3)11-10(7,8)9-5-2/h6H,4-5H2,1-3H3 |
InChI Key: | FOMXNJDIEWJLCN-UHFFFAOYSA-N |
References: | EPA: Fed. Reg., 69, 18263 (2004). |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.0140656 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.0140656 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 51.6Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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