Dichlofenthion

CAT: 1299-RM-D030900-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-D030900-04Size:100 mg

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CAS Number

97-17-6

Synonyms

O- (2,4-dichlorophenyl) O, O-diethyl phosphorothioate

Molecular Formula

C10H13Cl2O3PS

Molecular Weight

315.15

Target Alternative Name

Dichlofenthion

Product Name Synonym

O- (2,4-dichlorophenyl) O, O-diethyl phosphorothioate

Chemical Information

Dichlofenthion

Dichlofenthion is an organic thiophosphate.

CAS Number	97-17-6
PubChem CID	7328
IUPAC Name	(2,4-dichlorophenoxy)-diethoxy-sulfanylidene-lambda5-phosphane
Molecular Formula	C10H13Cl2O3PS
Molecular Weight	315.15
XLogP	5.1
Topological Polar Surface Area	59.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	17
Formal Charge	0
Complexity	270

SMILES

CCOP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C10H13Cl2O3PS/c1-3-13-16(17,14-4-2)15-10-6-5-8(11)7-9(10)12/h5-7H,3-4H2,1-2H3

InChIKey

WGOWCPGHOCIHBW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 97-17-6

CID: 7328

Formula: C10H13Cl2O3PS

MW: 315.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	315.15
XLogP3	5.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	313.9700078
Monoisotopic Mass	313.9700078
Topological Polar Surface Area	59.8 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	270
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
TRC-D431550-250MG	Dichlofenthion