Phorate Oxon

CAT: 0024-sc-478264Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-478264Size:10 mg

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CAS Number

2600-69-3

Chemical Information

Phorate oxon

CAS Number	2600-69-3
PubChem CID	75780
IUPAC Name	1-[ethoxy(ethylsulfanylmethylsulfanyl)phosphoryl]oxyethane
Molecular Formula	C7H17O3PS2
Molecular Weight	244.3
XLogP	2.1
Topological Polar Surface Area	86.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	13
Formal Charge	0
Complexity	156

SMILES

CCOP(=O)(OCC)SCSCC

InChI

InChI=1S/C7H17O3PS2/c1-4-9-11(8,10-5-2)13-7-12-6-3/h4-7H2,1-3H3

InChIKey

FMXFZNGITFNSAG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2600-69-3

CID: 75780

Formula: C7H17O3PS2

MW: 244.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	244.3
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	244.03567374
Monoisotopic Mass	244.03567374
Topological Polar Surface Area	86.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	156
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
Compound Is Canonicalized	Yes

Catalog	Name
sc-250709	Phorate
sc-498813	Fensulfothion Oxon
sc-257669	Leptophos oxon
sc-498109	Fensulfothion Oxon Sulfone
sc-498109A	Fensulfothion Oxon Sulfone
sc-497744	Famphur Oxon-D6
sc-498065	Fensulfothion Oxon-d10
sc-498116	Fensulfothion Oxon Sulfide
sc-498111	Fensulfothion Oxon Sulfone-d10
sc-498117	Fensulfothion Oxon Sulfide-d10