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126106-28-3 | 2-(4-HYDROXY-1,3-THIAZOL-2-YL)ETHANETHIOAMIDE
CAS No: 126106-28-3 Catalog No: AG009IRE MDL No:MFCD04124364
Product Description
Catalog Number:
AG009IRE
Chemical Name:
2-(4-HYDROXY-1,3-THIAZOL-2-YL)ETHANETHIOAMIDE
CAS Number:
126106-28-3
Molecular Formula:
C5H6N2OS2
Molecular Weight:
174.2439
MDL Number:
MFCD04124364
IUPAC Name:
2-(4-hydroxy-1,3-thiazol-2-yl)ethanethioamide
InChI:
InChI=1S/C5H6N2OS2/c6-3(9)1-5-7-4(8)2-10-5/h2,8H,1H2,(H2,6,9)
InChI Key:
LAQFXEPTZXJKAI-UHFFFAOYSA-N
SMILES:
NC(=S)Cc1nc(cs1)O
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.992g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
174.236g/mol
Monoisotopic Mass:
173.992g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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