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Chemical Product CAS:3309-78-2O,O-diethyl S-prop-2-yn-1-yl phosphorothioate

CAS:3309-78-2
O,O-diethyl S-prop-2-yn-1-yl phosphorothioate

  • CAS No:

    3309-78-2
  • Name:

    O,O-diethyl S-prop-2-yn-1-yl phosphorothioate
  • Molecular Formula:

    C7H13O3PS
  • Molecular Weight:

    208.2151
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O,O-diethyl S-prop-2-yn-1-yl phosphorothioate ( CASNO:3309-78-2 )

Identification and Related Records
Name:
O,O-diethyl S-prop-2-yn-1-yl phosphorothioate
CAS Registry number:
3309-78-2
Synonyms:
Ethyl 2-propynyl phosphorothioate
Monsanto CP-11549
o,o-diethyl s-prop-2-yn-1-yl phosphorothioate
ENT 24,949
BRN 1909122
O,O-Diethyl S-(2-propynyl)phosphorothioate
Phosphorothioic acid, O,O-diethyl S-2-propynyl ester
2-Propyne-1-thiol, S-ester with O,O-diethyl phosphorothioate
AC1L2RQL
AC1Q6SVZ
AR-1K8533
3-diethoxyphosphorylsulfanylprop-1-yne
LS-108717
Molecular Formula:
C7H13O3PS
Molecular Weight:
208.2151
Inchi:
InChI=1/C7H13O3PS/c1-4-7-12-11(8,9-5-2)10-6-3/h1H,5-7H2,2-3H3
Canonical SMILES:
CCOP(=O)(OCC)SCC#C
Chemical and Physical Properties
Density:
1.165g/cm3
Boiling Point:
241.4°C at 760 mmHg
Refractive Index:
1.478
Flash Point:
99.8°C
Computed Properties:
Molecular Weight:208.215081 [g/mol]
Molecular Formula:C7H13O3PS
XLogP3-AA:0.8
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:6
Exact Mass:208.032301
MonoIsotopic Mass:208.032301
Topological Polar Surface Area:60.8
Heavy Atom Count:12
Formal Charge:0
Complexity:198
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Hydrophobe Count:1
Effective Rotor Count:6
Conformer Sampling RMSD:0.6
CID Conformer Count:97
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