(2,4-dichlorophenyl)imino-[4-(trifluoromethyl)phenyl]imino-λ4-sulfane

C13H7Cl2F3N2S — CID 134985438

IUPAC(2,4-dichlorophenyl)imino-[4-(trifluoromethyl)phenyl]imino-λ4-sulfane
SMILESFC(F)(F)c1ccc(N=S=Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C13H7Cl2F3N2S/c14-9-3-6-12(11(15)7-9)20-21-19-10-4-1-8(2-5-10)13(16,17)18/h1-7H
InChIKeyITLPMDUFQZPUJD-UHFFFAOYSA-N
MW351.18 g/mol
LogP6.43
Rot. Bonds2

About (2,4-dichlorophenyl)imino-[4-(trifluoromethyl)phenyl]imino-λ4-sulfane

(2,4-dichlorophenyl)imino-[4-(trifluoromethyl)phenyl]imino-λ4-sulfane (PubChem CID 134985438) has the molecular formula C13H7Cl2F3N2S and a molecular weight of 351.18 g/mol. Its IUPAC name is (2,4-dichlorophenyl)imino-[4-(trifluoromethyl)phenyl]imino-λ4-sulfane.

Molecular Properties

Compound Name(2,4-dichlorophenyl)imino-[4-(trifluoromethyl)phenyl]imino-λ4-sulfane
PubChem CID134985438
Molecular FormulaC13H7Cl2F3N2S
Molecular Weight351.18 g/mol
Exact Mass349.97
IUPAC Name(2,4-dichlorophenyl)imino-[4-(trifluoromethyl)phenyl]imino-λ4-sulfane
SMILESFC(F)(F)c1ccc(N=S=Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C13H7Cl2F3N2S/c14-9-3-6-12(11(15)7-9)20-21-19-10-4-1-8(2-5-10)13(16,17)18/h1-7H
InChIKeyITLPMDUFQZPUJD-UHFFFAOYSA-N
XLogP6.43
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.18
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-1-(4-Chlorophenyl)-2-[2,2-dichloro-1-(4-fluorophenyl)ethenyl]\ diazene
CID 168326472
Diazene, (2-chlorophenyl)(4-methylphenyl)-
CID 4492528
4-Chloro-4'-methylazobenzene
CID 13184096
(4-Chlorophenyl)imino-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]imino-lambda4-sulfane
CID 23272505
4,4'-Dichloro-2,2'-bis(trifluoromethyl)azobenzene
CID 11176672
Bis[2-chloro-4-(trifluoromethyl)phenyl]diazene
CID 11372606
Bis[2,6-dichloro-4-(trifluoromethyl)phenyl]diazene
CID 11396913
2,6-Dichloro-4-(trifluoromethyl)benzenediazonium
CID 19785864
2-[(2,4,6-Trichlorophenyl)diazenyl]-2-[[4-(trifluoromethyl)phenyl]diazenyl]acetonitrile
CID 54209011
2-Chloro-4-(2-chloro-3,3,3-trifluoroprop-1-enyl)aniline
CID 54274879
2-[(4-Chlorophenyl)diazenyl]-2-[[4-(trifluoromethyl)phenyl]diazenyl]acetonitrile
CID 54499033
2,6-Dichloro-4-(2,2,2-trifluoroethyl)benzenediazonium
CID 57014746

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)imino-[4-(trifluoromethyl)phenyl]imino-λ4-sulfane?
The IUPAC name of (2,4-dichlorophenyl)imino-[4-(trifluoromethyl)phenyl]imino-λ4-sulfane (CID 134985438) is (2,4-dichlorophenyl)imino-[4-(trifluoromethyl)phenyl]imino-λ4-sulfane.
What is the SMILES notation for (2,4-dichlorophenyl)imino-[4-(trifluoromethyl)phenyl]imino-λ4-sulfane?
The canonical SMILES for (2,4-dichlorophenyl)imino-[4-(trifluoromethyl)phenyl]imino-λ4-sulfane is FC(F)(F)c1ccc(N=S=Nc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of (2,4-dichlorophenyl)imino-[4-(trifluoromethyl)phenyl]imino-λ4-sulfane?
The InChIKey is ITLPMDUFQZPUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F3N2S/c14-9-3-6-12(11(15)7-9)20-21-19-10-4-1-8(2-5-10)13(16,17)18/h1-7H.
What are the key properties of (2,4-dichlorophenyl)imino-[4-(trifluoromethyl)phenyl]imino-λ4-sulfane?
(2,4-dichlorophenyl)imino-[4-(trifluoromethyl)phenyl]imino-λ4-sulfane has a molecular weight of 351.18 g/mol, XLogP of 6.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)imino-[4-(trifluoromethyl)phenyl]imino-λ4-sulfane is sourced from PubChem (CID 134985438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).