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648427-44-5 | 1H-Imidazole-1-propanethioamide
CAS No: 648427-44-5 Catalog No: AG006T8E MDL No:
Product Description
Catalog Number:
AG006T8E
Chemical Name:
1H-Imidazole-1-propanethioamide
CAS Number:
648427-44-5
Molecular Formula:
C6H9N3S
Molecular Weight:
155.2208
IUPAC Name:
3-imidazol-1-ylpropanethioamide
InChI:
InChI=1S/C6H9N3S/c7-6(10)1-3-9-4-2-8-5-9/h2,4-5H,1,3H2,(H2,7,10)
InChI Key:
PRGRHTRFIDBWOS-UHFFFAOYSA-N
SMILES:
NC(=S)CCn1cncc1
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.052g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.219g/mol
Monoisotopic Mass:
155.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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