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Ethiolate

Ethiolate structure

CAS No:
2941-55-1
Formula:
C7H15NOS
Chemical Name:
Ethiolate
Synonyms:
Carbamothioic acid,N,N-diethyl-,S-ethyl ester;Carbamic acid,diethylthio-,S-ethyl ester;Carbamothioic acid,diethyl-,S-ethyl ester;S-Ethyl N,N-diethylthiocarbamate;Ethiolate;Etirox
Categories:
Analytical Chemistry > Standard

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Description

Ethiolate is a tertiary amine.

Ethiolate Basic Attributes

Molecular Weight：

161.27

Exact Mass：

161.27

UNII：

7PT8NM2AQ8

DSSTox ID：

DTXSID6041925

HScode：

29302000

Characteristics

PSA：

45.6

XLogP3：

2.20130

Density：

0.992 g/cm3

Boiling Point：

215.6ºC at 760 mmHg

Flash Point：

84.2ºC

Refractive Index：

1.481

Water Solubility：

0.02 M

Storage Conditions：

APPROX 4°C

Vapor Pressure：

0.146mmHg at 25°C

Toxicity：

Oral-Rat LD50: 400 mg/kg

Flammability characteristics：

Combustion produces toxic nitrogen oxide gas

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

2902

wgk germany：

hazard class code：

RTECS Number：

EZ7290000

Marks：

Storage features：

The warehouse is ventilated, low temperature and dry; stored and transported separately from food materials

Precautionary statement(s)：

P301 + P312 + P330

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Toxicity

Toxicity class：

highly toxic

Computed Properties

Molecular Weight:161.27
XLogP3:2.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:161.08743528
Monoisotopic Mass:161.08743528
Topological Polar Surface Area:45.6
Heavy Atom Count:10
Complexity:102
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes