Sulfuric Acid Monoallyl Ester

CAT: 1596-AR-S11017-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-S11017-01Size:10 Units

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CAS Number

21706-75-2

Molecular Formula

C3H6O4S

Molecular Weight

138.14

API Name

Sulfuric acid

Chemical Information

Prop-2-en-1-yl sulfate

CAS Number	21706-75-2
PubChem CID	22177274
IUPAC Name	prop-2-enyl sulfate
Molecular Formula	C3H5O4S-
Molecular Weight	137.14
XLogP	-0.3
Topological Polar Surface Area	74.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	8
Formal Charge	-1
Complexity	137

SMILES

C=CCOS(=O)(=O)[O-]

InChI

InChI=1S/C3H6O4S/c1-2-3-7-8(4,5)6/h2H,1,3H2,(H,4,5,6)/p-1

InChIKey

HJPUISCAOKCLOE-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 21706-75-2

CID: 22177274

Formula: C3H5O4S-

MW: 137.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	137.14
XLogP3	-0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	136.99085481
Monoisotopic Mass	136.99085481
Topological Polar Surface Area	74.8 Å²
Heavy Atom Count	8
Formal Charge	-1
Complexity	137
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-V07110-01	Venetoclax Sulfuric Acid Impurity
AR-S02036-01	Sulfamic Acid Methyl Ester
AR-S02037-01	Sulfamic Acid Ethyl Ester
AR-C01124-01	Camphor Sulfonic Acid Methyl Ester
AR-C01127-01	Camphor Sulfonic Acid Ethyl Ester
AR-C05845-01	Camphor Sulfonic Acid Propyl Ester
AR-S10970-01	Tert-Butyl Sulfamic Acid Ester
AR-C01125-01	Camphor Sulfonic Acid sec-Butyl Ester
AR-C05848-01	(1R, 4S) -Camphor Sulfonic Acid Isopropyl Ester
AR-C05849-01	(1S, 4R) -Camphor Sulfonic Acid Isopropyl Ester

Catalog	Name
TAA98198-01	Sulfuric acid, monoheptyl ester, sodium salt (1:1)
RE2304	Sulfuric Acid
450897-01	Formamidine Sulfuric Acid
37256-85	50%-Sulfuric Acid
S12130-01	Sulfuric Acid-d2
40100339-1	Sulfuric Acid 1%
RE203O-RE2018	Concentraed Sulfuric Acid
40100399-2	Sulfuric Acid 1N
TRC-A191195-2.5MG	Acrivastine Sulfuric Acid
RE2030-2018	Concentrated Sulfuric Acid