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14501-21-4 | 1,3,4-Thiadiazole-2-propanamide
CAS No: 14501-21-4 Catalog No: AG001KGW MDL No:
Product Description
Catalog Number:
AG001KGW
Chemical Name:
1,3,4-Thiadiazole-2-propanamide
CAS Number:
14501-21-4
Molecular Formula:
C5H7N3OS
Molecular Weight:
157.1936
IUPAC Name:
3-(1,3,4-thiadiazol-2-yl)propanamide
InChI:
InChI=1S/C5H7N3OS/c6-4(9)1-2-5-8-7-3-10-5/h3H,1-2H2,(H2,6,9)
InChI Key:
MMKBZHZIAFBSJR-UHFFFAOYSA-N
SMILES:
NC(=O)CCc1nncs1
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.031g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.191g/mol
Monoisotopic Mass:
157.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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