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Home > Imidazoles > 1247376-49-3
1247376-49-3 | 3-(1H-imidazol-1-yl)propane-1-thiol
CAS No: 1247376-49-3 Catalog No: AG019U1R MDL No:MFCD14679074
Product Description
Catalog Number:
AG019U1R
Chemical Name:
3-(1H-imidazol-1-yl)propane-1-thiol
CAS Number:
1247376-49-3
Molecular Formula:
C6H10N2S
Molecular Weight:
142.2220
MDL Number:
MFCD14679074
IUPAC Name:
3-imidazol-1-ylpropane-1-thiol
InChI:
InChI=1S/C6H10N2S/c9-5-1-3-8-4-2-7-6-8/h2,4,6,9H,1,3,5H2
InChI Key:
QODYVWRXWOBHIS-UHFFFAOYSA-N
SMILES:
SCCCn1cncc1
Properties
Complexity:
77.5
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:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.22g/mol
Monoisotopic Mass:
142.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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