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Methiocarb sulfoxide

Methiocarb sulfoxide structure

CAS No:
2635-10-1
Formula:
C11H15NO3S
Chemical Name:
Methiocarb sulfoxide
Synonyms:
Phenol,3,5-dimethyl-4-(methylsulfinyl)-,1-(N-methylcarbamate);Carbamic acid,methyl-,4-(methylsulfinyl)-3,5-xylyl ester;Phenol,3,5-dimethyl-4-(methylsulfinyl)-,methylcarbamate;3,5-Xylenol,4-(methylsulfinyl)-,methylcarbamate;Mesurol sulfoxide;Bay 37344 sulfoxide;4-(Methylsulfinyl)-3,5-xylyl methylcarbamate;BAY 41791;Methiocarb sulfoxide;3,5-Dimethyl-4-(methylsulfinyl)phenyl methylcarbamate
Categories:
Chemical Reagents > Organic Reagents

Description

ChEBI: A carbamate ester obtained by the formal condensation of the phenolic group of 3,5-dimethyl-4-(methylsulfinyl)phenol with the carboxy group of methylcarbamic acid. It is a metabolite of the pesticide methiocarb.

Methiocarb-sulfoxide is a carbamate ester obtained by the formal condensation of the phenolic group of 3,5-dimethyl-4-(methylsulfinyl)phenol with the carboxy group of methylcarbamic acid. It is a metabolite of the pesticide methiocarb. It has a role as a marine xenobiotic metabolite. It is a sulfoxide and a carbamate ester.

Methiocarb sulfoxide Basic Attributes

Molecular Weight：

241.31

Exact Mass：

241.31

DSSTox ID：

DTXSID8042139

Characteristics

PSA：

74.61000

XLogP3：

3.01560

Density：

1.25g/cm3

Boiling Point：

399ºC at 760mmHg

Flash Point：

195.1ºC

Refractive Index：

1.582

Storage Conditions：

0-6°C

Collision Cross Section：

156.88 Å² [M+H]+

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

2757

wgk germany：

hazard class code：

25-50/53

safety instructions：

45-60-61

RTECS Number：

FC5075000

Marks：

T,N

Precautionary statement(s)：

P264-P273-P301 + P310

Hazard Statements：

H300-H400

GHS Classification：

|Danger|H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]|P264, P270, P273, P301+P310, P321, P330, P391, P405, and P501|Aggregated GHS information provided by 41 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

methiocarb sulfoxide

Methiocarb sulfoxide Use and Manufacturing

Use Classification：

Transformation products|Pesticides -> Transformation products|Environmental transformation -> Pesticide transformation products (metabolite, successor)

Agrochemical：

Methiocarb sulfoxide is a known environmental transformation product of Methiocarb.|Methiocarb sulphoxide (M01) is a known environmental transformation product of Methiocarb.

Computed Properties

Molecular Weight:241.31
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:241.07726451
Monoisotopic Mass:241.07726451
Topological Polar Surface Area:74.6
Heavy Atom Count:16
Complexity:270
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes