Phenyl ethylenesulfonate

CAT: 0127-OR1040188-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1040188-01Size:250 mg

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CAS Number

1562-34-1

MDL Number

MFCD00012206

Purity

98%

Smiles

C=CS(=O)(OC1=CC=CC=C1)=O

Chemical Information

Phenyl ethenesulfonate

CAS Number	1562-34-1
PubChem CID	564920
IUPAC Name	phenyl ethenesulfonate
Molecular Formula	C8H8O3S
Molecular Weight	184.21
XLogP	1.7
Topological Polar Surface Area	51.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	232

SMILES

C=CS(=O)(=O)OC1=CC=CC=C1

InChI

InChI=1S/C8H8O3S/c1-2-12(9,10)11-8-6-4-3-5-7-8/h2-7H,1H2

InChIKey

CILDJVVXNMDAGY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1562-34-1

CID: 564920

Formula: C8H8O3S

MW: 184.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.21
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	184.01941529
Monoisotopic Mass	184.01941529
Topological Polar Surface Area	51.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	232
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
OR1048678-01	4- (Hydroxy (phenyl) methyl) phenol
OR1092501-01	Phenyl[2- (phenylmethyl) phenyl]methanone
PC1010136-01	Phenyl[3- (trifluoromethoxy) phenyl]methanone
OR1085706-01	Phenyl (4- (trimethylsilyl) phenyl) methanone
OR1090453-01	(3- (methylthio) phenyl) (phenyl) methanol
OR1089985-01	(3- (benzyloxy) phenyl) (phenyl) methanol
OR1086622-01	(2- (ethylthio) phenyl) (phenyl) methanone
OR1086148	(4- (methylthio) phenyl) (phenyl) methanol
OR1093492-01	(4- (methoxymethyl) phenyl) (phenyl) methanone
OR1045043-01	Phenyl (4- (phenylamino) phenyl) methanol

Catalog	Name
sc-308839A	2,4,6-Trichlorophenyl 2-phenyl-1-ethylenesulfonate
sc-298596	2,3,4,5,6-Pentafluorophenyl 1-ethylenesulfonate
AR-Q01027-01	Phenyl-2- (phenyl thio) phenyl carbamide
LDA99798-01	[3- (Methylamino) phenyl] (phenyl) methanol
KDB93639-01	Phenyl[4- (trifluoromethoxy) phenyl]methanamine
YAC81540-01	Phenyl[2- (trifluoromethoxy) phenyl]methanamine
TRC-P335965-5G	Phenyl[2-phenylthio)phenyl]carbamate
abx187996	(4-(Bromomethyl)Phenyl)(Phenyl)Methanone
HAA49477-01	[4- (Dimethylamino) phenyl] (phenyl) methanol
JH444530	(2-CHLORO-PHENYL) -PHENYL-METHANOL