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750643-45-9 | Thiourea,N-(2,4-dimethyl-1H-imidazol-5-yl)-
CAS No: 750643-45-9 Catalog No: AG008O4G MDL No:
Product Description
Catalog Number:
AG008O4G
Chemical Name:
Thiourea,N-(2,4-dimethyl-1H-imidazol-5-yl)-
CAS Number:
750643-45-9
Molecular Formula:
C6H10N4S
Molecular Weight:
170.2354
IUPAC Name:
(2,5-dimethyl-1H-imidazol-4-yl)thiourea
InChI:
InChI=1S/C6H10N4S/c1-3-5(10-6(7)11)9-4(2)8-3/h1-2H3,(H,8,9)(H3,7,10,11)
InChI Key:
NIDIBNVGUGXDJJ-UHFFFAOYSA-N
SMILES:
Cc1c(NC(=S)N)nc([nH]1)C
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
170.234g/mol
Monoisotopic Mass:
170.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
98.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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