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Home > Imidazoles > 1105189-03-4
1105189-03-4 | 1-Allyl-5-(4-methylphenyl)-1H-imidazole-2-thiol
CAS No: 1105189-03-4 Catalog No: AG01ARLV MDL No:MFCD11986821
Product Description
Catalog Number:
AG01ARLV
Chemical Name:
1-Allyl-5-(4-methylphenyl)-1H-imidazole-2-thiol
CAS Number:
1105189-03-4
Molecular Formula:
C13H14N2S
Molecular Weight:
230.3287
MDL Number:
MFCD11986821
IUPAC Name:
4-(4-methylphenyl)-3-prop-2-enyl-1H-imidazole-2-thione
InChI:
InChI=1S/C13H14N2S/c1-3-8-15-12(9-14-13(15)16)11-6-4-10(2)5-7-11/h3-7,9H,1,8H2,2H3,(H,14,16)
InChI Key:
NJZZOWKNVPTPFP-UHFFFAOYSA-N
SMILES:
C=CCn1c(S)ncc1c1ccc(cc1)C
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.088g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.329g/mol
Monoisotopic Mass:
230.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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