Isopropyl Ethanesulfonate

CAT: 1596-AR-M02964-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-M02964-01Size:10 Units

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CAS Number

14245-62-6

Synonyms

1-Methylethyl ethanesulfonate

Molecular Formula

C5H12O3S

Chemical Information

Ethanesulfonic acid, isopropyl ester

CAS Number	14245-62-6
PubChem CID	134677
IUPAC Name	propan-2-yl ethanesulfonate
Molecular Formula	C5H12O3S
Molecular Weight	152.21
XLogP	0.8
Topological Polar Surface Area	51.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	9
Formal Charge	0
Complexity	152

SMILES

CCS(=O)(=O)OC(C)C

InChI

InChI=1S/C5H12O3S/c1-4-9(6,7)8-5(2)3/h5H,4H2,1-3H3

InChIKey

COCAPDHQLSKPBJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14245-62-6

CID: 134677

Formula: C5H12O3S

MW: 152.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	152.21
XLogP3	0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	152.05071541
Monoisotopic Mass	152.05071541
Topological Polar Surface Area	51.8 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	152
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-N01588-01	Nintedanib Ethanesulfonate
AR-N01622-01	Ethyl Ethanesulfonate
AR-N01621-01	Methyl ethanesulfonate
AR-I01095-01	Isopropyl Ibuprofen
AR-M02903-01	Isopropyl Palmitate
AR-E02006-01	Isopropyl Methanesulfonate
AR-S10996-01	Isopropyl Chlorosulfonate
AR-P33271-01	Pyribambenz-Isopropyl
AR-M03277-01	Isopropyl methacrylate
AR-M05253-01	Isopropyl Mycophenolate

Catalog	Name
OR74932-01	Isopropyl ethanesulfonate
BAA91228	Methyl ethanesulfonate
449631-01	Ethyl Ethanesulfonate
OR1030231-01	Sodium Ethanesulfonate
HY-115389	Argimesna (ethanesulfonate)
RG-P181522-01	Propyl Ethanesulfonate
FD71497-01	Nintedanib ethanesulfonate
ENZ-CHM229-1000	Nintedanib . ethanesulfonate salt
MBS5751476	Nintedanib Ethanesulfonate Salt
RG-A262685-01	2-Hydroxypropyl Ethanesulfonate