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Home > Imidazoles > 70334-05-3
70334-05-3 | 1H-Imidazole-4-methanethiol, 5-methyl-
CAS No: 70334-05-3 Catalog No: AG0069PK MDL No:
Product Description
Catalog Number:
AG0069PK
Chemical Name:
1H-Imidazole-4-methanethiol, 5-methyl-
CAS Number:
70334-05-3
Molecular Formula:
C5H8N2S
Molecular Weight:
128.1954
IUPAC Name:
(5-methyl-1H-imidazol-4-yl)methanethiol
InChI:
InChI=1S/C5H8N2S/c1-4-5(2-8)7-3-6-4/h3,8H,2H2,1H3,(H,6,7)
InChI Key:
GCYDEHNKSNMNMN-UHFFFAOYSA-N
SMILES:
Cc1c(CS)nc[nH]1
Properties
Complexity:
76.8
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:
2
Isotope Atom Count:
0
Molecular Weight:
128.193g/mol
Monoisotopic Mass:
128.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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