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1258640-76-4 | 2-(1,3-thiazol-4-yl)ethanethioamide
CAS No: 1258640-76-4 Catalog No: AG019RIY MDL No:MFCD17977181
Product Description
Catalog Number:
AG019RIY
Chemical Name:
2-(1,3-thiazol-4-yl)ethanethioamide
CAS Number:
1258640-76-4
Molecular Formula:
C5H6N2S2
Molecular Weight:
158.2445
MDL Number:
MFCD17977181
IUPAC Name:
2-(1,3-thiazol-4-yl)ethanethioamide
InChI:
InChI=1S/C5H6N2S2/c6-5(8)1-4-2-9-3-7-4/h2-3H,1H2,(H2,6,8)
InChI Key:
KEPZYOLMOSAKOG-UHFFFAOYSA-N
SMILES:
NC(=S)Cc1cscn1
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.997g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.237g/mol
Monoisotopic Mass:
157.997g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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