METHYL-2-ISOTHIOCYANATOTHIOPHENE-3-CARBOXYLATE
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METHYL-2-ISOTHIOCYANATOTHIOPHENE-3-CARBOXYLATE
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CAS No:
126637-07-8
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Formula:
C7H5NO2S2
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Chemical Name:
METHYL-2-ISOTHIOCYANATOTHIOPHENE-3-CARBOXYLATE
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Synonyms:
methyl 2-isothiocyanatothiophene-3-carboxylate;methyl 2-isothiocyanato-3-thiophenecarboxylate;Methyl-2-isothiocyanatothiophene-3-carboxylate;3-Thiophenecarboxylicacid, 2-isothiocyanato-, methyl ester;ACMC-20efpm;SCHEMBL3592637;CTK4B5278;DTXSID50374960;ZINC170347;KS-000020UT
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CAS No:
METHYL-2-ISOTHIOCYANATOTHIOPHENE-3-CARBOXYLATE Basic Attributes
199.25
198.97600
DTXSID50374960
2934999090
Safety Information
IRRITANT
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
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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METHYL-2-ISOTHIOCYANATOTHIOPHENE-3-CARBOXYLATE
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