Propargyl benzenesulfonate

CAT: 1596-AR-B06521-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-B06521-01Size:10 Units

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CAS Number

6165-75-9

Synonyms

Prop-2-yn-1-yl benzenesulfonate

Molecular Formula

C9H8O3S

Molecular Weight

196.22

API Name

Benzenesulfonate

Chemical Information

2-Propyn-1-ol, 1-benzenesulfonate

CAS Number	6165-75-9
PubChem CID	80273
IUPAC Name	prop-2-ynyl benzenesulfonate
Molecular Formula	C9H8O3S
Molecular Weight	196.22
XLogP	1.3
Topological Polar Surface Area	51.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	285

SMILES

C#CCOS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C9H8O3S/c1-2-8-12-13(10,11)9-6-4-3-5-7-9/h1,3-7H,8H2

InChIKey

RAGBYXLIHQFIPK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6165-75-9

CID: 80273

Formula: C9H8O3S

MW: 196.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.22
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	196.01941529
Monoisotopic Mass	196.01941529
Topological Polar Surface Area	51.8 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	285
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
AR-B06513-01	Isobutyl Benzenesulfonate
AR-B01257-01	Ethyl Benzenesulfonate
AR-B06512-01	Propyl Benzenesulfonate
AR-B01213-01	Isopropyl Benzenesulfonate
AR-B11945-01	Methyl Benzenesulfonate
AR-B01258-01	N-butyl Benzenesulfonate
AR-B01263-01	Methyl benzenesulfonate-13C6
AR-B01264-01	Ethyl benzenesulfonate-13C6
AR-B06520-01	2-Hydroxyethyl Benzenesulfonate
AR-B01222-01	Ethyl 3-Nitro Benzenesulfonate

Catalog	Name
T124544-01	Propargyl benzenesulfonate
TRC-P762557-100MG	Propargyl Benzenesulfonate-13C6
A24182-100	ASN007 benzenesulfonate (ERK-IN-3 benzenesulfonate) 100mg
A24182-50	ASN007 benzenesulfonate (ERK-IN-3 benzenesulfonate) 50mg
A3510-100	Ivacaftor benzenesulfonate
FM178117-01	Methyl benzenesulfonate
TRC-I824350-10MG	Isopropyl Benzenesulfonate
HY-W016510-01	Benzenesulfonate (sodium)
275233-01	Ethyl benzenesulfonate
T11882-01	Pulrodemstat benzenesulfonate