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Home > Encyclopedia > METHYL3-ISOTHIOCYANATOTHIOPHENE-2-CARBOXYLATE

METHYL3-ISOTHIOCYANATOTHIOPHENE-2-CARBOXYLATE

METHYL3-ISOTHIOCYANATOTHIOPHENE-2-CARBOXYLATE structure

METHYL3-ISOTHIOCYANATOTHIOPHENE-2-CARBOXYLATE 

structure
  • CAS No:

    81321-10-0

  • Formula:

    C7H5NO2S2

  • Chemical Name:

    METHYL3-ISOTHIOCYANATOTHIOPHENE-2-CARBOXYLATE

  • Synonyms:

    METHYL 3-ISOTHIOCYANATOTHIOPHENE-2-CARBOXYLATE;METHYL 3-ISOTHIOCYANATO-2-THIOPHENECARBOXYLATE;Methyl 3-isoisothiocyanatothiophene-2-carboxylate;3-Isothiocyanatothiophene-2-carboxylic acid methyl ester;3-Isothiocyanato-2-thiophenecarboxylic acid methyl ester;Methyl 3-isothiocyanato-2-thenoate, 3-Isothiocyanato-2-(methoxycarbonyl)thiophene

METHYL3-ISOTHIOCYANATOTHIOPHENE-2-CARBOXYLATE Basic Attributes

199.25000

198.97600

DTXSID70380528

2934999090

Characteristics

98.99000

2.26900

1.35g/cm3

57ºC

340.3ºC at 760 mmHg

159.6ºC

1.63

Safety Information

R20/21/22;R36/37/38

S26-S36/37/39

Xn:Harmful;

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

H302

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:199.3
XLogP3:3.2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:198.97617075
Monoisotopic Mass:198.97617075
Topological Polar Surface Area:99
Heavy Atom Count:12
Complexity:225
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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