Phenylthiophosphonic Dichloride

CAT: 0127-OR1079359Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR1079359Size:25 g

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CAS Number

3497-00-5

Synonyms

Phenylphosphonothioic Dichloride

MDL Number

MFCD00004916

Purity

>98.0%

Smiles

C1=CC=C (C=C1) P (=S) (Cl) Cl

Chemical Information

Phenylthionophosphonic dichloride

Phenylphosphorus thiodichloride is a colorless liquid with unpleasant acrid pungent odor. Corrodes metals slowly.

CAS Number	3497-00-5
PubChem CID	19016
IUPAC Name	dichloro-phenyl-sulfanylidene-lambda5-phosphane
Molecular Formula	C6H5Cl2PS
Molecular Weight	211.05
XLogP	4.2
Topological Polar Surface Area	32.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	148

SMILES

C1=CC=C(C=C1)P(=S)(Cl)Cl

InChI

InChI=1S/C6H5Cl2PS/c7-9(8,10)6-4-2-1-3-5-6/h1-5H

InChIKey

SXIWNIQDOJKDGB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3497-00-5

CID: 19016

Formula: C6H5Cl2PS

MW: 211.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	211.05
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	209.9226637
Monoisotopic Mass	209.9226637
Topological Polar Surface Area	32.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	148
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
PC108278	Tetrafluoronterephthaloyl dichloride
OR1024400-01	Triphenylbismuth Dichloride
BUP09754-01	Mivacurium dichloride
OR46548-01	Malonyl dichloride
BUP23203	Obidoxime dichloride
BUP21408-01	Asoxime dichloride
OR1043440-01	Paraquat dichloride
OR7132	Iodobenzene dichloride
IN13178-01	Dibutyltin Dichloride
IN13161-01	Zirconocene Dichloride

Catalog	Name
sc-484870	Phenylthiophosphonic Dichloride
TRC-D445255-500MG	Diethyltin Dichloride
TRC-A575875-2.5G	Ambenonium Dichloride
HY-106782	Titanocene dichloride
T63684-01	DAD dichloride
HY-W087964-01	Dodecanedioyl dichloride
274569-01	Dibutyltin Dichloride
447262-01	Dimethylphosphoramidous Dichloride
442372-01	Benzoquinonium Dichloride
T16372-01	Obidoxime dichloride