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Details

Stereochemistry ACHIRAL
Molecular Formula C2H6O4S
Molecular Weight 126.132
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIMETHYL SULFATE

SMILES

COS(=O)(=O)OC

InChI

InChIKey=VAYGXNSJCAHWJZ-UHFFFAOYSA-N
InChI=1S/C2H6O4S/c1-5-7(3,4)6-2/h1-2H3

HIDE SMILES / InChI

Molecular Formula C2H6O4S
Molecular Weight 126.132
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Dimethyl sulfate is a diester of methanol and sulfuric acid. Dimethyl sulfate is commonly used as a reagent for the methylation of phenols, amines, and thiols. Dimethyl sulfate is a potent genotoxic chemical. It can directly alkylate DNA both in vitro and in vivo. It have been shown to induce mutations, chromosomal aberrations, and other genetic alterations in a diversity of organisms. Dimethyl sulfate can cause severe burns to the skin, eyes, and respiratory tract. Systemic effects of dimethyl sulfate include damage to the liver and kidneys.

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency

Conditions

ConditionModalityTargetsHighest PhaseProduct

PubMed

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
A single dose of dimethyl sulfate giving an initial concentration of 400 uM raised the levels of nuclear monomeric and polymeric (ADPribose) residues within 20 min to 12- and 21-fold higher values, respectively, as compared to the low basal amounts detected in untreated control cells.
Substance Class Chemical
Record UNII
JW5CW40Z50
Record Status Validated (UNII)
Record Version