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7565-39-1 | 1H-Imidazole, 2-(ethylthio)-
CAS No: 7565-39-1 Catalog No: AG005IYA MDL No:
Product Description
Catalog Number:
AG005IYA
Chemical Name:
1H-Imidazole, 2-(ethylthio)-
CAS Number:
7565-39-1
Molecular Formula:
C5H8N2S
Molecular Weight:
128.1954
IUPAC Name:
2-ethylsulfanyl-1H-imidazole
InChI:
InChI=1S/C5H8N2S/c1-2-8-5-6-3-4-7-5/h3-4H,2H2,1H3,(H,6,7)
InChI Key:
ZZKKGEQXOTVRRU-UHFFFAOYSA-N
SMILES:
CCSc1ncc[nH]1
Properties
Complexity:
67.4
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:
2
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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