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72119-98-3 | 1-methyl-5-(propan-2-yl)-1H-imidazole-2-thiol
CAS No: 72119-98-3 Catalog No: AG019TLB MDL No:MFCD20431004
Product Description
Catalog Number:
AG019TLB
Chemical Name:
1-methyl-5-(propan-2-yl)-1H-imidazole-2-thiol
CAS Number:
72119-98-3
Molecular Formula:
C7H12N2S
Molecular Weight:
156.2486
MDL Number:
MFCD20431004
IUPAC Name:
3-methyl-4-propan-2-yl-1H-imidazole-2-thione
InChI:
InChI=1S/C7H12N2S/c1-5(2)6-4-8-7(10)9(6)3/h4-5H,1-3H3,(H,8,10)
InChI Key:
PXWHRKFZXYAKNC-UHFFFAOYSA-N
SMILES:
CC(c1cnc(n1C)S)C
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.072g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.247g/mol
Monoisotopic Mass:
156.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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