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156027-20-2 | 1-butyl-4,5-dimethyl-1H-imidazole-2-thiol
CAS No: 156027-20-2 Catalog No: AG01EITF MDL No:MFCD09040494
Product Description
Catalog Number:
AG01EITF
Chemical Name:
1-butyl-4,5-dimethyl-1H-imidazole-2-thiol
CAS Number:
156027-20-2
Molecular Formula:
C9H16N2S
Molecular Weight:
184.3017
MDL Number:
MFCD09040494
IUPAC Name:
3-butyl-4,5-dimethyl-1H-imidazole-2-thione
InChI:
InChI=1S/C9H16N2S/c1-4-5-6-11-8(3)7(2)10-9(11)12/h4-6H2,1-3H3,(H,10,12)
InChI Key:
AWSAKJFXJHSTQQ-UHFFFAOYSA-N
SMILES:
CCCCn1c(S)nc(c1C)C
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.103g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.301g/mol
Monoisotopic Mass:
184.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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