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497855-90-0 | 2H-Imidazole-2-thione,1,3-dihydro-5-(hydroxymethyl)-1-(1-methylethyl)-(9CI)
CAS No: 497855-90-0 Catalog No: AG00DX94 MDL No:
Product Description
Catalog Number:
AG00DX94
Chemical Name:
2H-Imidazole-2-thione,1,3-dihydro-5-(hydroxymethyl)-1-(1-methylethyl)-(9CI)
CAS Number:
497855-90-0
IUPAC Name:
4-(hydroxymethyl)-3-propan-2-yl-1H-imidazole-2-thione
InChI:
InChI=1S/C7H12N2OS/c1-5(2)9-6(4-10)3-8-7(9)11/h3,5,10H,4H2,1-2H3,(H,8,11)
InChI Key:
OXGPHMCTFUVFFU-UHFFFAOYSA-N
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.067g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.246g/mol
Monoisotopic Mass:
172.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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