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ethyl 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoate

ethyl 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoate structure

CAS No:
17823-58-4
Formula:
C8H11NO2S2
Chemical Name:
ethyl 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoate
Synonyms:
Ethyl 2-cyano-3,3-bis(methylthio)-2-propenoate; 2-cyano-3,3-bis(methylsulfanyl)acrylic acid ethyl ester; ethyl 2-cyano-3,3-bis(methylthio)acrylate; ethyl [bis(methylsulfanyl)methylidene]cyanoacetate; Ethyl 3,3-Bis(Methylthio)-2-cyanoacrylate; ethyl 2-cyano-3,3-dimethylthioacrylate; ethyl 3,3-bis(methylsulfanyl)-2-cyanoprop-2-enoate; 3,3-Bis(methylthio)-2-cyanoacrylic Acid Ethyl Ester;Expand

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ethyl 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoate Basic Attributes

Molecular Weight：

217.30800

Exact Mass：

217.02312094

DSSTox ID：

DTXSID90372687

HScode：

2930909090

Characteristics

PSA：

100.69000

XLogP3：

2.01068

Density：

1.216g/cm3

Melting Point：

58ºC

Boiling Point：

315.6ºC

Flash Point：

144.7ºC

Refractive Index：

1.545

Vapor Pressure：

0.000432mmHg at 25°C

Safety Information

hazard class code：

R20/21/22; R36/37/38

safety instructions：

S26; S36/37/39

GHS Classification：

|Danger|H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:217.3
XLogP3:1.9
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:217.02312094
Monoisotopic Mass:217.02312094
Topological Polar Surface Area:101
Heavy Atom Count:13
Complexity:259
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

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