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1077628-67-1 | 1-(3-Methoxy-4-(4-Methyl-1H-iMidazol-1-yl)phenyl)thiourea
CAS No: 1077628-67-1 Catalog No: AG008TAD MDL No:
Product Description
Catalog Number:
AG008TAD
Chemical Name:
1-(3-Methoxy-4-(4-Methyl-1H-iMidazol-1-yl)phenyl)thiourea
CAS Number:
1077628-67-1
Molecular Formula:
C12H14N4OS
Molecular Weight:
262.3308
IUPAC Name:
[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]thiourea
InChI:
InChI=1S/C12H14N4OS/c1-8-6-16(7-14-8)10-4-3-9(15-12(13)18)5-11(10)17-2/h3-7H,1-2H3,(H3,13,15,18)
InChI Key:
DBBHFNSGUAJVTQ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1n1cnc(c1)C)NC(=S)N
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.089g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.331g/mol
Monoisotopic Mass:
262.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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