Isopentyl Mesylate

CAT: 0024-sc-488482Size: 1 gDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-488482Size:1 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

16156-55-1

Chemical Information

3-Methylbutyl methanesulfonate

CAS Number	16156-55-1
PubChem CID	21336698
IUPAC Name	3-methylbutyl methanesulfonate
Molecular Formula	C6H14O3S
Molecular Weight	166.24
XLogP	1.3
Topological Polar Surface Area	51.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	10
Formal Charge	0
Complexity	164

SMILES

CC(C)CCOS(=O)(=O)C

InChI

InChI=1S/C6H14O3S/c1-6(2)4-5-9-10(3,7)8/h6H,4-5H2,1-3H3

InChIKey

CPKOUXPEJOKKNM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16156-55-1

CID: 21336698

Formula: C6H14O3S

MW: 166.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.24
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	166.06636548
Monoisotopic Mass	166.06636548
Topological Polar Surface Area	51.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	164
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-215197	Isopentyl nitrite
sc-250190A	Isopentyl acetate
sc-250190	Isopentyl acetate
sc-279231	Isopentyl dodecanoate
sc-215197B	Isopentyl nitrite
sc-235410	Isopentyl formate
sc-215197A	Isopentyl nitrite
sc-269268	Isopentyl isobutyrate
sc-269267	Isopentyl butyrate
sc-479286A	Phenylacetic acid isopentyl ester