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Ethyl 3-cyano-2-mercapto-6-methylisonicotinate

Ethyl 3-cyano-2-mercapto-6-methylisonicotinate structure

CAS No:
56891-69-1
Formula:
C10H10N2O2S
Chemical Name:
Ethyl 3-cyano-2-mercapto-6-methylisonicotinate
Synonyms:
ETHYL 3-CYANO-2-MERCAPTO-6-METHYLISONICOTINATE;ETHYL 3-CYANO-2-MERCAPTO-6-METHYLPYRIDINE-4-CARBOXYLATE;ETHYL 3-CYANO-2-MERCAPTO-6-METHYLPYRIDINE-4-CARBOXYLATE 97%;3-Cyano-4-(ethoxycarbonyl)-6-methylpyridine-2-thiol;3-Cyano-2-mercapto-6-methyl-isonicotinic acid ethyl ester;ethyl 3-cyano-6-methyl-2-thioxo-1,2-dihydropyridine-4-carboxylate;Ethyl3-cyano-6-methyl-2-sulphanylisonicotinate
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Ethyl 3-cyano-2-mercapto-6-methylisonicotinate Basic Attributes

Molecular Weight：

222.26

Exact Mass：

222.04600

HScode：

2933399090

Characteristics

PSA：

101.78000

XLogP3：

1.72708

Density：

1.29g/cm3

Melting Point：

214 °C

Boiling Point：

302.8ºC at 760mmHg

Flash Point：

136.9ºC

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

hazard class code：

20/21/22-36/37/38

safety instructions：

22-36/37/39-26

Marks：

Xi,Xn

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302+H312+H332

GHS Classification：

|Warning|H302+H312+H332 (20%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:222.27
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:222.04629874
Monoisotopic Mass:222.04629874
Topological Polar Surface Area:94.2
Heavy Atom Count:15
Complexity:426
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Ethyl 3-cyano-2-mercapto-6-methylisonicotinate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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Ethyl 3-cyano-2-mercapto-6-methylisonicotinate

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