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S, S, S-Triethyltetrathiophosphate

CAT: 1596-AR-P31415-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P31415-01Size:10 Units
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CAS Number
1642-43-9
Molecular Formula
C6H15PS4
Molecular Weight
246.40
API Name
Phosphate

Chemical Information

Phosphorotetrathioic acid, triethyl ester
CAS Number1642-43-9
PubChem CID94861
IUPAC Nametris(ethylsulfanyl)-sulfanylidene-lambda5-phosphane
Molecular FormulaC6H15PS4
Molecular Weight246.4
XLogP3.5
Topological Polar Surface Area108
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count11
Formal Charge0
Complexity113
SMILES
CCSP(=S)(SCC)SCC
InChI
InChI=1S/C6H15PS4/c1-4-9-7(8,10-5-2)11-6-3/h4-6H2,1-3H3
InChIKey
JCFFNZAUZIFYSM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phosphorotetrathioic acid, triethyl ester
CAS: 1642-43-9
CID: 94861
Formula: C6H15PS4
MW: 246.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight246.4
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass245.97942217
Monoisotopic Mass245.97942217
Topological Polar Surface Area108 Ų
Heavy Atom Count11
Formal Charge0
Complexity113
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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