Parathion

CAT: 1596-AR-P30363-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P30363-02Size:25 Units

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CAS Number

56-38-2

Molecular Formula

C10H14NO5PS

Molecular Weight

291.26

API Name

Parathion

Chemical Information

Parathion

Parathion can cause cancer according to California Labor Code.

CAS Number	56-38-2
PubChem CID	991
IUPAC Name	diethoxy-(4-nitrophenoxy)-sulfanylidene-lambda5-phosphane
Molecular Formula	C10H14NO5PS
Molecular Weight	291.26
XLogP	3.8
Topological Polar Surface Area	106
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	18
Formal Charge	0
Complexity	304

SMILES

CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3

InChIKey

LCCNCVORNKJIRZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 56-38-2

CID: 991

Formula: C10H14NO5PS

MW: 291.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	291.26
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	291.03303072
Monoisotopic Mass	291.03303072
Topological Polar Surface Area	106 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	304
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