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733030-50-7 | 1-(oxolan-2-ylmethyl)-4,5-diphenyl-1H-imidazole-2-thiol
CAS No: 733030-50-7 Catalog No: AG019IUS MDL No:MFCD04635819
Product Description
Catalog Number:
AG019IUS
Chemical Name:
1-(oxolan-2-ylmethyl)-4,5-diphenyl-1H-imidazole-2-thiol
CAS Number:
733030-50-7
Molecular Formula:
C20H20N2OS
Molecular Weight:
336.4506
MDL Number:
MFCD04635819
IUPAC Name:
3-(oxolan-2-ylmethyl)-4,5-diphenyl-1H-imidazole-2-thione
InChI:
InChI=1S/C20H20N2OS/c24-20-21-18(15-8-3-1-4-9-15)19(16-10-5-2-6-11-16)22(20)14-17-12-7-13-23-17/h1-6,8-11,17H,7,12-14H2,(H,21,24)
InChI Key:
FQJBXCXAEHYUJJ-UHFFFAOYSA-N
SMILES:
Sc1nc(c(n1CC1CCCO1)c1ccccc1)c1ccccc1
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.13g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.453g/mol
Monoisotopic Mass:
336.13g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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