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106984-85-4 | 1-(pyridin-2-ylmethyl)-1H-imidazole-2-thiol
CAS No: 106984-85-4 Catalog No: AG01AHSE MDL No:MFCD11201072
Product Description
Catalog Number:
AG01AHSE
Chemical Name:
1-(pyridin-2-ylmethyl)-1H-imidazole-2-thiol
CAS Number:
106984-85-4
Molecular Formula:
C9H9N3S
Molecular Weight:
191.2529
MDL Number:
MFCD11201072
IUPAC Name:
3-(pyridin-2-ylmethyl)-1H-imidazole-2-thione
InChI:
InChI=1S/C9H9N3S/c13-9-11-5-6-12(9)7-8-3-1-2-4-10-8/h1-6H,7H2,(H,11,13)
InChI Key:
RFUCFMSXWUCZLP-UHFFFAOYSA-N
SMILES:
Sc1nccn1Cc1ccccn1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.052g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.252g/mol
Monoisotopic Mass:
191.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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