Benzyl Methanesulfonate

CAT: 1299-RG-A261389-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A261389-01Size:10 mg

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CAS Number

55791-06-5

Synonyms

Benzyl methanesulfonate

Molecular Formula

C8H10O3S

Molecular Weight

186.23

Product Name Synonym

Benzyl methanesulfonate

Chemical Information

Benzyl mesylate

structure in first source

CAS Number	55791-06-5
PubChem CID	148757
IUPAC Name	benzyl methanesulfonate
Molecular Formula	C8H10O3S
Molecular Weight	186.23
XLogP	1.1
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

CS(=O)(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C8H10O3S/c1-12(9,10)11-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3

InChIKey

ZDKRMIJRCHPKLW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 55791-06-5

CID: 148757

Formula: C8H10O3S

MW: 186.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.23
XLogP3	1.1
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-A121202-01	Allyl Methanesulfonate
RG-M201200-01	Methyl Methanesulfonate
RG-P022518-01	Ethane Methanesulfonate
RG-E120100-01	Ethyl Methanesulfonate
RG-E242709-01	Octyl methanesulfonate
RG-M052074-01	Hexyl Methanesulfonate
RG-A263553-01	Cyclopentyl Methanesulfonate
RG-E242708-01	Pentyl methanesulfonate
RG-B212008-01	Butyl Methanesulfonate
RG-A262851-01	Cyclopropylmethyl Methanesulfonate

Catalog	Name
OR1002983-01	4- (Allyloxy) -2-{[ (methylsulfonyl) oxy]methyl}benzyl methanesulfonate
MD29296	1,2-Di-O-acetyl-3-O-benzyl-4-C- (phenylmethoxy) methyl-L-Lyxofuranose 5-methanesulfonate
MM76880-01	4-C-[[ (Methylsulfonyl) oxy]methyl]-3-O-benzyl-1,2-di-O-acetyl 5-methanesulfonate D-erythro-pentofuranose
PC108427	7-Methyl-5- (3- (Piperazin-1-Ylmethyl) -1,2,4-Oxadiazol-5-Yl) -2- (4- (Trifluoromethoxy) Benzyl) Isoindolin-1-One Methanesulfonate
RAA15656-01	Cyclohexyl methanesulfonate
CS-T-61612	Testosterone Methanesulfonate
TRC-B523550-500MG	Propyl Methanesulfonate
T69165-01	Methiothepin methanesulfonate
HY-123938A	CYH33 (methanesulfonate)
T89413-01	Hexyl methanesulfonate