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Home > Imidazoles > 114980-42-6
114980-42-6 | 1H-Imidazole-4-thiol, 1,5-dimethyl-
CAS No: 114980-42-6 Catalog No: AG000FIE MDL No:
Product Description
Catalog Number:
AG000FIE
Chemical Name:
1H-Imidazole-4-thiol, 1,5-dimethyl-
CAS Number:
114980-42-6
Molecular Formula:
C5H8N2S
Molecular Weight:
128.1954
IUPAC Name:
1,5-dimethylimidazole-4-thiol
InChI:
InChI=1S/C5H8N2S/c1-4-5(8)6-3-7(4)2/h3,8H,1-2H3
InChI Key:
ROOBMHPGLIIPSW-UHFFFAOYSA-N
SMILES:
Cc1c(S)ncn1C
Properties
Complexity:
86.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.041g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
128.193g/mol
Monoisotopic Mass:
128.041g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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