Montelukast Impurity 15

CAT: 1299-RM-M201241-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M201241-01Size:10 mg

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CAS Number

64-67-5

Synonyms

Diethyl sulfate

Molecular Formula

C4H10O4S

Molecular Weight

154.18

Target Alternative Name

Montelukast

Product Name Synonym

Diethyl sulfate

Chemical Information

Diethyl Sulfate

Diethyl Sulfate can cause cancer according to an independent committee of scientific and health experts.

CAS Number	64-67-5
PubChem CID	6163
IUPAC Name	diethyl sulfate
Molecular Formula	C4H10O4S
Molecular Weight	154.19
XLogP	1.1
Topological Polar Surface Area	61
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	9
Formal Charge	0
Complexity	130

SMILES

CCOS(=O)(=O)OCC

InChI

InChI=1S/C4H10O4S/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3

InChIKey

DENRZWYUOJLTMF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 64-67-5

CID: 6163

Formula: C4H10O4S

MW: 154.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	154.19
XLogP3	1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	154.02997997
Monoisotopic Mass	154.02997997
Topological Polar Surface Area	61 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	130
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
RM-M201233-01	Montelukast EP Impurity A; ent-Montelukast
RM-M142001-01	Montelukast Sodium Impurity A; USP Montelukast Ketone Impurity
RM-M201267-01	Montelukast Impurity 41
RM-M201239-01	Montelukast Impurity 13
RM-M201259-01	Montelukast Impurity 33
RM-M201275-01	Montelukast Impurity 49
RM-M201268-01	Montelukast Impurity 42
RM-M201244-01	Montelukast Impurity 18
RM-M201269-01	Montelukast Impurity 43
RM-M201230-01	Montelukast Ketocarbinol Impurity

Catalog	Name
AR-M05078-01	Montelukast Impurity 36 and Montelukast Impurity 37 (Mixture of Diastereomers)
IM111856-01	Montelukast impurity I
TRC-M568070-1MG	Montelukast Ketocarbinol Impurity
AR-M05065-01	Montelukast Impurity 12
AR-M05067-01	Montelukast Impurity 36
AR-M05070-01	Montelukast Impurity 42
AR-M05072-01	Montelukast Impurity 49
AR-M02256-01	Montelukast Impurity 10
AR-M02276-01	Montelukast Impurity 30
AR-M02277-01	Montelukast Impurity 31