Benzenesulfonic Acid Ethyl Ester

CAT: 1299-RM-B261931-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-B261931-01Size:10 mg

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CAS Number

515-46-8

Synonyms

Ethyl benzenesulfonate

Molecular Formula

C8H10O3S

Molecular Weight

186.23

Target Alternative Name

Benzenesulfonic Acid

Product Name Synonym

Ethyl benzenesulfonate

Chemical Information

Ethyl benzenesulfonate

CAS Number	515-46-8
PubChem CID	10585
IUPAC Name	ethyl benzenesulfonate
Molecular Formula	C8H10O3S
Molecular Weight	186.23
XLogP	1.4
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	209

SMILES

CCOS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C8H10O3S/c1-2-11-12(9,10)8-6-4-3-5-7-8/h3-7H,2H2,1H3

InChIKey

XDRMBCMMABGNMM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 515-46-8

CID: 10585

Formula: C8H10O3S

MW: 186.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.23
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	186.03506535
Monoisotopic Mass	186.03506535
Topological Polar Surface Area	51.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	209
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
RG-E141393-01	Benzenesulfonic acid mannose ester
RM-B261941-01	Benzenesulfonic Acid Isopropyl Ester
RM-B261921-01	Benzenesulfonic Acid Butyl Ester
RM-V011201-01	Valproic Acid Ethyl Ester
RM-G121502-01	Glycocholic Acid Ethyl Ester
RM-G123301-01	Glycodeoxycholic Acid Ethyl Ester
RM-D241336-01	Dexamethasone Acid Ethyl Ester
RM-R192231-01	Rosuvastatin Acid Ethyl Ester
RM-F450011-01	Eicosapentaenoic Acid Ethyl Ester
RG-S080902-01	Shikimic Acid Ethyl Ester

Catalog	Name
OR924979-01	Benzenesulfonic acid ethyl ester
AR-B06552-01	3-Amino-Benzenesulfonic Acid Ethyl Ester
JH916033	Benzenesulfonic acid, 4- (trifluoromethyl) -, ethyl ester
MBS6070491-01	Isopropyl Benzenesulfonate (Benzenesulfonic Acid Isopropyl Ester, Benzenesulfonic Acid 1-Methylethyl Ester)
abx185353-01	Benzenesulfonic acid, 4-methyl-, propyl ester
AR-B06553-01	3-Amino-Benzenesulfonic Acid Isopropyl Ester
AR-B06524-01	3-amino-benzenesulfonic acid methyl ester
TRC-M235740-100MG	4-(5-Methyl-3-phenyl-4-isoxazolyl)-ethyl Ester Benzenesulfonic Acid
TRC-A481525-250MG	D-Alanine Benzyl Ester Benzenesulfonic Acid Salt
TRC-A481535-5G	L-Alanine Benzyl Ester Benzenesulfonic Acid Salt