Thiophosphoro alkyne dichloridate

CAT: 0926-WAA30059-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-WAA30059-01Size:50 mg

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CAS Number

21300-59-4

Smiles

C#CCOP (=S) (Cl) Cl

Molecular Formula

C3H3Cl2OPS

Molecular Weight

189 g/mol

Controlled

Chemical Information

Thiophosphoro alkyne dichloridate

CAS Number	21300-59-4
PubChem CID	100986416
IUPAC Name	dichloro-prop-2-ynoxy-sulfanylidene-lambda5-phosphane
Molecular Formula	C3H3Cl2OPS
Molecular Weight	189.00
XLogP	2.8
Topological Polar Surface Area	41.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	8
Formal Charge	0
Complexity	154

SMILES

C#CCOP(=S)(Cl)Cl

InChI

InChI=1S/C3H3Cl2OPS/c1-2-3-6-7(4,5)8/h1H,3H2

InChIKey

HPJLQEFYLAALCL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21300-59-4

CID: 100986416

Formula: C3H3Cl2OPS

MW: 189.00

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	189.00
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	187.9019283
Monoisotopic Mass	187.9019283
Topological Polar Surface Area	41.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	154
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
HY-156583	Thiophosphoro alkyne dichloridate
MD007007-9	Alkyne-PEG9-Alkyne
MD007007-6-01	Alkyne-PEG6-Alkyne
MD007007-3-01	Alkyne-PEG3-Alkyne
abx085049-01	Alkyne-PEG-Alkyne
MD007007-8	Alkyne-PEG8-Alkyne
MD007007-12	Alkyne-PEG12-Alkyne
MD007007-10	Alkyne-PEG10-Alkyne
MD007007-7	Alkyne-PEG7-Alkyne
MD007007-5-01	Alkyne-PEG5-Alkyne