Diisopropyl Sulfate

CAT: 1596-AR-S11002-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-S11002-01Size:10 Units

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CAS Number

2973-10-6

Synonyms

Diisopropyl sulfate

Molecular Formula

C6H14O4S

Molecular Weight

182.23

API Name

Sulfate

Chemical Information

Diisopropyl sulfate

Diisopropyl Sulfate can cause cancer according to The World Health Organization's International Agency for Research on Cancer (IARC).

CAS Number	2973-10-6
PubChem CID	18096
IUPAC Name	dipropan-2-yl sulfate
Molecular Formula	C6H14O4S
Molecular Weight	182.24
XLogP	1.3
Topological Polar Surface Area	61
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	11
Formal Charge	0
Complexity	171

SMILES

CC(C)OS(=O)(=O)OC(C)C

InChI

InChI=1S/C6H14O4S/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3

InChIKey

HWBLTYHIEYOAOL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2973-10-6

CID: 18096

Formula: C6H14O4S

MW: 182.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	182.24
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	182.06128010
Monoisotopic Mass	182.06128010
Topological Polar Surface Area	61 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	171
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-F11036-01	Diisopropyl Fumarate
AR-S10031-01	Diisopropyl Sebacate
AR-A04750-01	Diisopropyl Azodicarboxylate
AR-M03138	Diisopropyl Carbonate
AR-M03772-01	Diisopropyl maleate
AR-E02021-01	Diisopropyl Ether
AR-P31475-01	Diisopropyl Phosphate
AR-T01453-01	Diisopropyl Tenofovir Fumarate
AR-T03127-01	N, N-Diisopropyl Ethylamine
AR-S09522-01	Sitagliptin N, N diisopropyl impurity

Catalog	Name
RG-D090902-01	Diisopropyl Sulfate
FD05914-01	Diisopropyl azodicarboxylate
T20322-01	Diisopropyl phthalate
447061-01	Diisopropyl Malonate
10099-70-4	Diisopropyl maleate
RG-P022560-01	Diisopropyl Adipate
591993	Diisopropyl fumarate
sc-485867	Diisopropyl Trisulfide
sc-239760	Diisopropyl ether
sc-487778	Diisopropyl Allylboronate