benzhydrylimino-methyl-oxo-phenyl-λ6-sulfane

C20H19NOS — CID 102236611

IUPACbenzhydrylimino-methyl-oxo-phenyl-λ6-sulfane
SMILESCS(=O)(=NC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19NOS/c1-23(22,19-15-9-4-10-16-19)21-20(17-11-5-2-6-12-17)18-13-7-3-8-14-18/h2-16,20H,1H3
InChIKeyRFDVPDKJAFUHBT-UHFFFAOYSA-N
MW321.45 g/mol
LogP4.93
Rot. Bonds4

About benzhydrylimino-methyl-oxo-phenyl-λ6-sulfane

benzhydrylimino-methyl-oxo-phenyl-λ6-sulfane (PubChem CID 102236611) has the molecular formula C20H19NOS and a molecular weight of 321.45 g/mol. Its IUPAC name is benzhydrylimino-methyl-oxo-phenyl-λ6-sulfane.

Molecular Properties

Compound Namebenzhydrylimino-methyl-oxo-phenyl-λ6-sulfane
PubChem CID102236611
Molecular FormulaC20H19NOS
Molecular Weight321.45 g/mol
Exact Mass321.12
IUPAC Namebenzhydrylimino-methyl-oxo-phenyl-λ6-sulfane
SMILESCS(=O)(=NC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19NOS/c1-23(22,19-15-9-4-10-16-19)21-20(17-11-5-2-6-12-17)18-13-7-3-8-14-18/h2-16,20H,1H3
InChIKeyRFDVPDKJAFUHBT-UHFFFAOYSA-N
XLogP4.93
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzhydrylimino-methyl-oxo-phenyl-λ6-sulfane?
The IUPAC name of benzhydrylimino-methyl-oxo-phenyl-λ6-sulfane (CID 102236611) is benzhydrylimino-methyl-oxo-phenyl-λ6-sulfane.
What is the SMILES notation for benzhydrylimino-methyl-oxo-phenyl-λ6-sulfane?
The canonical SMILES for benzhydrylimino-methyl-oxo-phenyl-λ6-sulfane is CS(=O)(=NC(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydrylimino-methyl-oxo-phenyl-λ6-sulfane?
The InChIKey is RFDVPDKJAFUHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NOS/c1-23(22,19-15-9-4-10-16-19)21-20(17-11-5-2-6-12-17)18-13-7-3-8-14-18/h2-16,20H,1H3.
What are the key properties of benzhydrylimino-methyl-oxo-phenyl-λ6-sulfane?
benzhydrylimino-methyl-oxo-phenyl-λ6-sulfane has a molecular weight of 321.45 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydrylimino-methyl-oxo-phenyl-λ6-sulfane is sourced from PubChem (CID 102236611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).