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764622-27-7 | 1H-Imidazole-1-butanethioamide
CAS No: 764622-27-7 Catalog No: AG008Q7S MDL No:
Product Description
Catalog Number:
AG008Q7S
Chemical Name:
1H-Imidazole-1-butanethioamide
CAS Number:
764622-27-7
Molecular Formula:
C7H11N3S
Molecular Weight:
169.2473
IUPAC Name:
4-imidazol-1-ylbutanethioamide
InChI:
InChI=1S/C7H11N3S/c8-7(11)2-1-4-10-5-3-9-6-10/h3,5-6H,1-2,4H2,(H2,8,11)
InChI Key:
XLIRVRRRSRAJJY-UHFFFAOYSA-N
SMILES:
NC(=S)CCCn1cncc1
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:
1
Isotope Atom Count:
0
Molecular Weight:
169.246g/mol
Monoisotopic Mass:
169.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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