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Structure

3-Thiophenecarboxylicacid,2-isothiocyanato-,methyl ester

CAS
126637-07-8
Catalog Number
ACM126637078
Category
Other Products
Molecular Weight
199.2501
Molecular Formula
C7H5NO2S2

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Specification

Synonyms
ZINC00170347, CID2759916, 8R-1327, 126637-07-8
IUPAC Name
methyl 2-isothiocyanatothiophene-3-carboxylate
Canonical SMILES
COC(=O)C1=C(SC=C1)N=C=S
InChI Key
YTIYSXJOPAFQPW-UHFFFAOYSA-N
Boiling Point
332.5ºC at 760mmHg
Melting Point
59-61ºC
Flash Point
154.9ºC
Density
1.35g/cm³
Exact Mass
198.97600
H-Bond Acceptor
3
H-Bond Donor
0
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