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Terfuboxon

CAT: 1596-AR-T04505-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T04505-06Size:250 Units
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CAS Number
56070-14-5
Molecular Formula
C9H21O3PS2
Molecular Weight
272.36
API Name
Terfuboxon

Chemical Information

Terbufos oxon
CAS Number56070-14-5
PubChem CID13084212
IUPAC Name2-(diethoxyphosphorylsulfanylmethylsulfanyl)-2-methylpropane
Molecular FormulaC9H21O3PS2
Molecular Weight272.4
XLogP2.7
Topological Polar Surface Area86.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count15
Formal Charge0
Complexity206
SMILES
CCOP(=O)(OCC)SCSC(C)(C)C
InChI
InChI=1S/C9H21O3PS2/c1-6-11-13(10,12-7-2)15-8-14-9(3,4)5/h6-8H2,1-5H3
InChIKey
ULQPHYVGZGUIJR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Terbufos oxon
CAS: 56070-14-5
CID: 13084212
Formula: C9H21O3PS2
MW: 272.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight272.4
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass272.06697387
Monoisotopic Mass272.06697387
Topological Polar Surface Area86.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity206
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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