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598-52-7

598-52-7 structural image
Product Name: N-METHYLTHIOUREA
Formula: C2H6N2S
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Environment
GHS09
GHS Hazard Statements H300:Acute toxicity,oral
H411:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.

COMPUTED DESCRIPTORS

Molecular Weight 90.15 g/mol
XLogP3 -0.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
Exact Mass 90.02516937 g/mol
Monoisotopic Mass 90.02516937 g/mol
Topological Polar Surface Area 70.1 Ų
Heavy Atom Count 5
Formal Charge 0
Complexity 42.9
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

PRODUCT INTRODUCTION

description

N-methylthiourea is a member of the class of thioureas that is thiourea in which one of the hydrogens is replaced by a methyl group. It has a role as a drug metabolite, a hepatotoxic agent and a human xenobiotic metabolite. It is functionally related to a thiourea.

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