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745766-75-0 | 1H-Imidazole-5-butanethioamide
CAS No: 745766-75-0 Catalog No: AG008PQ8 MDL No:
Product Description
Catalog Number:
AG008PQ8
Chemical Name:
1H-Imidazole-5-butanethioamide
CAS Number:
745766-75-0
Molecular Formula:
C7H11N3S
Molecular Weight:
169.2473
IUPAC Name:
4-(1H-imidazol-5-yl)butanethioamide
InChI:
InChI=1S/C7H11N3S/c8-7(11)3-1-2-6-4-9-5-10-6/h4-5H,1-3H2,(H2,8,11)(H,9,10)
InChI Key:
YSOADVXYKGIAAC-UHFFFAOYSA-N
SMILES:
NC(=S)CCCc1cnc[nH]1
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.067g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
169.246g/mol
Monoisotopic Mass:
169.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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