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Home > Imidazoles > 923811-99-8
923811-99-8 | 1-(oxolan-2-ylmethyl)-5-phenyl-1H-imidazole-2-thiol
CAS No: 923811-99-8 Catalog No: AG019K9Y MDL No:MFCD08691215
Product Description
Catalog Number:
AG019K9Y
Chemical Name:
1-(oxolan-2-ylmethyl)-5-phenyl-1H-imidazole-2-thiol
CAS Number:
923811-99-8
Molecular Formula:
C14H16N2OS
Molecular Weight:
260.3546
MDL Number:
MFCD08691215
IUPAC Name:
3-(oxolan-2-ylmethyl)-4-phenyl-1H-imidazole-2-thione
InChI:
InChI=1S/C14H16N2OS/c18-14-15-9-13(11-5-2-1-3-6-11)16(14)10-12-7-4-8-17-12/h1-3,5-6,9,12H,4,7-8,10H2,(H,15,18)
InChI Key:
BIUAMWCDKXCANE-UHFFFAOYSA-N
SMILES:
Sc1ncc(n1CC1CCCO1)c1ccccc1
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.098g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.355g/mol
Monoisotopic Mass:
260.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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