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83553-60-0 | 4-(Methylthio)-1H-imidazole
CAS No: 83553-60-0 Catalog No: AG0036I5 MDL No:MFCD03844702
Product Description
Catalog Number:
AG0036I5
Chemical Name:
4-(Methylthio)-1H-imidazole
CAS Number:
83553-60-0
Molecular Formula:
C4H6N2S
Molecular Weight:
114.1688
MDL Number:
MFCD03844702
IUPAC Name:
5-methylsulfanyl-1H-imidazole
InChI:
InChI=1S/C4H6N2S/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)
InChI Key:
NLIJIXLRIYPOHM-UHFFFAOYSA-N
SMILES:
CSc1c[nH]cn1
Properties
Complexity:
57.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.025g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
114.166g/mol
Monoisotopic Mass:
114.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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