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60758-41-0 | THIAZOLE-2-CARBOTHIOIC ACID AMIDE
CAS No: 60758-41-0 Catalog No: AG00E9Z3 MDL No:MFCD06738992
Product Description
Catalog Number:
AG00E9Z3
Chemical Name:
THIAZOLE-2-CARBOTHIOIC ACID AMIDE
CAS Number:
60758-41-0
Molecular Formula:
C4H4N2S2
Molecular Weight:
144.2180
MDL Number:
MFCD06738992
IUPAC Name:
1,3-thiazole-2-carbothioamide
InChI:
InChI=1S/C4H4N2S2/c5-3(7)4-6-1-2-8-4/h1-2H,(H2,5,7)
InChI Key:
XDORZTKINJTHOT-UHFFFAOYSA-N
SMILES:
NC(=S)c1nccs1
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.982g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.21g/mol
Monoisotopic Mass:
143.982g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| The unprecedented ring transformation from thiazoline-spiro-thiophene to thieno[2,3-b]pyrazine involved in the reaction of 2-thiocarbamoyl thiazolium salts with dimethyl acetylenedicarboxylate. | Chemical communications (Cambridge, England) 20071221 |
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