methyl-(4-methylphenyl)-oxo-[4-(trifluoromethyl)phenyl]imino-λ6-sulfane

C15H14F3NOS — CID 164667661

IUPACmethyl-(4-methylphenyl)-oxo-[4-(trifluoromethyl)phenyl]imino-λ6-sulfane
SMILESCc1ccc(S(C)(=O)=Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H14F3NOS/c1-11-3-9-14(10-4-11)21(2,20)19-13-7-5-12(6-8-13)15(16,17)18/h3-10H,1-2H3
InChIKeyLRCAEJYRFVPXKP-UHFFFAOYSA-N
MW313.34 g/mol
LogP4.80
Rot. Bonds2

About methyl-(4-methylphenyl)-oxo-[4-(trifluoromethyl)phenyl]imino-λ6-sulfane

methyl-(4-methylphenyl)-oxo-[4-(trifluoromethyl)phenyl]imino-λ6-sulfane (PubChem CID 164667661) has the molecular formula C15H14F3NOS and a molecular weight of 313.34 g/mol. Its IUPAC name is methyl-(4-methylphenyl)-oxo-[4-(trifluoromethyl)phenyl]imino-λ6-sulfane.

Molecular Properties

Compound Namemethyl-(4-methylphenyl)-oxo-[4-(trifluoromethyl)phenyl]imino-λ6-sulfane
PubChem CID164667661
Molecular FormulaC15H14F3NOS
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC Namemethyl-(4-methylphenyl)-oxo-[4-(trifluoromethyl)phenyl]imino-λ6-sulfane
SMILESCc1ccc(S(C)(=O)=Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H14F3NOS/c1-11-3-9-14(10-4-11)21(2,20)19-13-7-5-12(6-8-13)15(16,17)18/h3-10H,1-2H3
InChIKeyLRCAEJYRFVPXKP-UHFFFAOYSA-N
XLogP4.80
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl-(4-methylphenyl)-oxo-[4-(trifluoromethyl)phenyl]imino-λ6-sulfane?
The IUPAC name of methyl-(4-methylphenyl)-oxo-[4-(trifluoromethyl)phenyl]imino-λ6-sulfane (CID 164667661) is methyl-(4-methylphenyl)-oxo-[4-(trifluoromethyl)phenyl]imino-λ6-sulfane.
What is the SMILES notation for methyl-(4-methylphenyl)-oxo-[4-(trifluoromethyl)phenyl]imino-λ6-sulfane?
The canonical SMILES for methyl-(4-methylphenyl)-oxo-[4-(trifluoromethyl)phenyl]imino-λ6-sulfane is Cc1ccc(S(C)(=O)=Nc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of methyl-(4-methylphenyl)-oxo-[4-(trifluoromethyl)phenyl]imino-λ6-sulfane?
The InChIKey is LRCAEJYRFVPXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NOS/c1-11-3-9-14(10-4-11)21(2,20)19-13-7-5-12(6-8-13)15(16,17)18/h3-10H,1-2H3.
What are the key properties of methyl-(4-methylphenyl)-oxo-[4-(trifluoromethyl)phenyl]imino-λ6-sulfane?
methyl-(4-methylphenyl)-oxo-[4-(trifluoromethyl)phenyl]imino-λ6-sulfane has a molecular weight of 313.34 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(4-methylphenyl)-oxo-[4-(trifluoromethyl)phenyl]imino-λ6-sulfane is sourced from PubChem (CID 164667661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).