Etbicythionat

CAT: 0024-sc-252786Size: 100 µgDry Ice: NoHazardous: No

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CAT#:0024-sc-252786Size:100 µg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

224790-71-0

Chemical Information

2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-, 1-sulfide

CAS Number	224790-71-0
PubChem CID	13635
IUPAC Name	4-ethyl-1-sulfanylidene-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane
Molecular Formula	C6H11O3PS
Molecular Weight	194.19
XLogP	1.8
Topological Polar Surface Area	59.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	187

SMILES

CCC12COP(=S)(OC1)OC2

InChI

InChI=1S/C6H11O3PS/c1-2-6-3-7-10(11,8-4-6)9-5-6/h2-5H2,1H3

InChIKey

GHLWKNFZHQLFJX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 224790-71-0

CID: 13635

Formula: C6H11O3PS

MW: 194.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	194.19
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	194.01665238
Monoisotopic Mass	194.01665238
Topological Polar Surface Area	59.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	187
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
448518-01	Etbicythionat