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26914-51-2 | 2H-Benzimidazol-2-one, 1,3-dihydro-1,3-bis[(methylphenyl)thio]-
CAS No: 26914-51-2 Catalog No: AG007MEG MDL No:
Product Description
Catalog Number:
AG007MEG
Chemical Name:
2H-Benzimidazol-2-one, 1,3-dihydro-1,3-bis[(methylphenyl)thio]-
CAS Number:
26914-51-2
Molecular Formula:
C21H18N2OS2
Molecular Weight:
378.5104
IUPAC Name:
1,3-bis[(2-methylphenyl)sulfanyl]benzimidazol-2-one
InChI:
InChI=1S/C21H18N2OS2/c1-15-9-3-7-13-19(15)25-22-17-11-5-6-12-18(17)23(21(22)24)26-20-14-8-4-10-16(20)2/h3-14H,1-2H3
InChI Key:
FKZVQAMASQJHQX-UHFFFAOYSA-N
SMILES:
Cc1ccccc1Sn1c(=O)n(c2c1cccc2)Sc1ccccc1C
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.086g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.508g/mol
Monoisotopic Mass:
378.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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