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Home > Imidazoles > 4708-63-8
4708-63-8 | 4-ethyl-1H-imidazole-2-thiol
CAS No: 4708-63-8 Catalog No: AG01A05J MDL No:MFCD23724182
Product Description
Catalog Number:
AG01A05J
Chemical Name:
4-ethyl-1H-imidazole-2-thiol
CAS Number:
4708-63-8
Molecular Formula:
C5H8N2S
Molecular Weight:
128.1954
MDL Number:
MFCD23724182
IUPAC Name:
4-ethyl-1,3-dihydroimidazole-2-thione
InChI:
InChI=1S/C5H8N2S/c1-2-4-3-6-5(8)7-4/h3H,2H2,1H3,(H2,6,7,8)
InChI Key:
VZYFMUNEXWSMSR-UHFFFAOYSA-N
SMILES:
CCc1c[nH]c(n1)S
Properties
Complexity:
139
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:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
128.193g/mol
Monoisotopic Mass:
128.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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