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O-Ethyl Methylphosphonothioate

CAT: 0572-TRC-E923735-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E923735-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
18005-40-8
Synonyms
Methyl-phosphonothioic acid O-Ethyl Ester; EMPSH; EMPTA; O-Ethyl Methylthiophosphonate
Hazard Statement
Toxic if swallowed; UN number: UN2927; Packing Group: II
Purity
>95% (HPLC)
Smiles
CCOP(=O)(C)S
Molecular Formula
C3H9O2PS
Molecular Weight
140.14
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

O-Ethyl methylphosphonothioate

Methylphosphonothioic acid o-ethyl ester is an organothiophosphorus compound.

CAS Number18005-40-8
PubChem CID556615
IUPAC Nameethoxy-hydroxy-methyl-sulfanylidene-lambda5-phosphane
Molecular FormulaC3H9O2PS
Molecular Weight140.14
XLogP1
Topological Polar Surface Area61.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity92
SMILES
CCOP(=S)(C)O
InChI
InChI=1S/C3H9O2PS/c1-3-5-6(2,4)7/h3H2,1-2H3,(H,4,7)
InChIKey
XXNRHOAJIUSMOQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of O-Ethyl methylphosphonothioate
CAS: 18005-40-8
CID: 556615
Formula: C3H9O2PS
MW: 140.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight140.14
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass140.00608770
Monoisotopic Mass140.00608770
Topological Polar Surface Area61.6 Ų
Heavy Atom Count7
Formal Charge0
Complexity92.9
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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