(4-methylphenyl)imino-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]imino-λ4-sulfane

C14H7F7N2S — CID 23266511

IUPAC(4-methylphenyl)imino-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]imino-λ4-sulfane
SMILESCc1ccc(N=S=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1
InChIInChI=1S/C14H7F7N2S/c1-6-2-4-7(5-3-6)22-24-23-13-11(17)9(15)8(14(19,20)21)10(16)12(13)18/h2-5H,1H3
InChIKeyRJCXSMPYLHNTCC-UHFFFAOYSA-N
MW368.28 g/mol
LogP5.98
Rot. Bonds2

About (4-methylphenyl)imino-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]imino-λ4-sulfane

(4-methylphenyl)imino-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]imino-λ4-sulfane (PubChem CID 23266511) has the molecular formula C14H7F7N2S and a molecular weight of 368.28 g/mol. Its IUPAC name is (4-methylphenyl)imino-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]imino-λ4-sulfane.

Molecular Properties

Compound Name(4-methylphenyl)imino-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]imino-λ4-sulfane
PubChem CID23266511
Molecular FormulaC14H7F7N2S
Molecular Weight368.28 g/mol
Exact Mass368.02
IUPAC Name(4-methylphenyl)imino-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]imino-λ4-sulfane
SMILESCc1ccc(N=S=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1
InChIInChI=1S/C14H7F7N2S/c1-6-2-4-7(5-3-6)22-24-23-13-11(17)9(15)8(14(19,20)21)10(16)12(13)18/h2-5H,1H3
InChIKeyRJCXSMPYLHNTCC-UHFFFAOYSA-N
XLogP5.98
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.28
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)imino-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]imino-λ4-sulfane?
The IUPAC name of (4-methylphenyl)imino-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]imino-λ4-sulfane (CID 23266511) is (4-methylphenyl)imino-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]imino-λ4-sulfane.
What is the SMILES notation for (4-methylphenyl)imino-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]imino-λ4-sulfane?
The canonical SMILES for (4-methylphenyl)imino-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]imino-λ4-sulfane is Cc1ccc(N=S=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1.
What is the InChIKey of (4-methylphenyl)imino-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]imino-λ4-sulfane?
The InChIKey is RJCXSMPYLHNTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F7N2S/c1-6-2-4-7(5-3-6)22-24-23-13-11(17)9(15)8(14(19,20)21)10(16)12(13)18/h2-5H,1H3.
What are the key properties of (4-methylphenyl)imino-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]imino-λ4-sulfane?
(4-methylphenyl)imino-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]imino-λ4-sulfane has a molecular weight of 368.28 g/mol, XLogP of 5.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)imino-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]imino-λ4-sulfane is sourced from PubChem (CID 23266511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).