Phenyl propargyl sulfide

CAT: 0024-sc-236365ASize: 25 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-236365ASize:25 mL

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CAS Number

5651-88-7

Chemical Information

Phenyl propargyl sulfide

CAS Number	5651-88-7
PubChem CID	4131667
IUPAC Name	prop-2-ynylsulfanylbenzene
Molecular Formula	C9H8S
Molecular Weight	148.23
XLogP	3
Topological Polar Surface Area	25.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	125

SMILES

C#CCSC1=CC=CC=C1

InChI

InChI=1S/C9H8S/c1-2-8-10-9-6-4-3-5-7-9/h1,3-7H,8H2

InChIKey

HXKVNRKJSSHQQY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5651-88-7

CID: 4131667

Formula: C9H8S

MW: 148.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	148.23
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	148.03467143
Monoisotopic Mass	148.03467143
Topological Polar Surface Area	25.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	125
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
sc-228930	Phenyl propargyl ether
sc-490108	Geranylgeranyl Phenyl Sulfide
sc-228468	Methoxymethyl phenyl sulfide
sc-252591	Chloromethyl phenyl sulfide
sc-233899	Azidomethyl phenyl sulfide
sc-239632	Cyclopropyl phenyl sulfide
sc-236367	Phenyl trifluoromethyl sulfide
sc-239947	Ethyl phenyl sulfide
sc-236368	Phenyl vinyl sulfide
sc-233995	Benzyl phenyl sulfide

Catalog	Name
TRC-P839618-500MG	Propargyl Sulfide
591808	Phenyl sulfide
260189-01	Allyl phenyl sulfide
164280	Geranylgeranyl Phenyl Sulfide
449706-01	Ethyl Phenyl Sulfide
284900-01	Methoxymethyl Phenyl Sulfide
P15820-01	Phenyl sulfide 99%
NAA61002	Phenyl Propargyl Ether
P14340	Phenyl b-Phenylethyl Sulfide
EAA83459-01	2-Chloroallyl phenyl sulfide