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Home > Imidazoles > 61640-26-4
61640-26-4 | 1-(propan-2-yl)-1H-imidazole-2-thiol
CAS No: 61640-26-4 Catalog No: AG019K9A MDL No:MFCD08691183
Product Description
Catalog Number:
AG019K9A
Chemical Name:
1-(propan-2-yl)-1H-imidazole-2-thiol
CAS Number:
61640-26-4
Molecular Formula:
C6H10N2S
Molecular Weight:
142.2220
MDL Number:
MFCD08691183
IUPAC Name:
3-propan-2-yl-1H-imidazole-2-thione
InChI:
InChI=1S/C6H10N2S/c1-5(2)8-4-3-7-6(8)9/h3-5H,1-2H3,(H,7,9)
InChI Key:
ZJKICUDDIHZLHH-UHFFFAOYSA-N
SMILES:
CC(n1ccnc1S)C
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.056g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.22g/mol
Monoisotopic Mass:
142.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| An inorganic propellane with central B-B bond. | Chemical communications (Cambridge, England) 20120614 |
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