4-methylsulfanyl-N-[5-(4-methylsulfanylphenyl)iminopenta-1,3-dienyl]aniline

C19H20N2S2 — CID 74935118

IUPAC4-methylsulfanyl-N-[5-(4-methylsulfanylphenyl)iminopenta-1,3-dienyl]aniline
SMILESCSc1ccc(/N=C/C=CC=CNc2ccc(SC)cc2)cc1
InChIInChI=1S/C19H20N2S2/c1-22-18-10-6-16(7-11-18)20-14-4-3-5-15-21-17-8-12-19(23-2)13-9-17/h3-15,20H,1-2H3/b5-3?,14-4?,21-15+
InChIKeyXPKUGUKJYXWUMK-VMJLTXDHSA-N
MW340.52 g/mol
LogP6.01
Rot. Bonds7

About 4-methylsulfanyl-N-[5-(4-methylsulfanylphenyl)iminopenta-1,3-dienyl]aniline

4-methylsulfanyl-N-[5-(4-methylsulfanylphenyl)iminopenta-1,3-dienyl]aniline (PubChem CID 74935118) has the molecular formula C19H20N2S2 and a molecular weight of 340.52 g/mol. Its IUPAC name is 4-methylsulfanyl-N-[5-(4-methylsulfanylphenyl)iminopenta-1,3-dienyl]aniline.

Molecular Properties

Compound Name4-methylsulfanyl-N-[5-(4-methylsulfanylphenyl)iminopenta-1,3-dienyl]aniline
PubChem CID74935118
Molecular FormulaC19H20N2S2
Molecular Weight340.52 g/mol
Exact Mass340.11
IUPAC Name4-methylsulfanyl-N-[5-(4-methylsulfanylphenyl)iminopenta-1,3-dienyl]aniline
SMILESCSc1ccc(/N=C/C=CC=CNc2ccc(SC)cc2)cc1
InChIInChI=1S/C19H20N2S2/c1-22-18-10-6-16(7-11-18)20-14-4-3-5-15-21-17-8-12-19(23-2)13-9-17/h3-15,20H,1-2H3/b5-3?,14-4?,21-15+
InChIKeyXPKUGUKJYXWUMK-VMJLTXDHSA-N
XLogP6.01
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.52
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(1E)-5-phenyliminopenta-1,3-dienyl]aniline;hydrochloride
CID 161064876
N'-dihydroxyphosphinothioyl-N-(4-methylsulfanylphenyl)methanimidamide
CID 161149296
N,N'-diphenylhexa-1,3,5-triene-1,6-diamine;hydrochloride
CID 75086588
(E)-3-(4-methylsulfanylanilino)-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 46858548
1-N,4-N-bis(prop-1-enyl)benzene-1,4-diamine
CID 150631626
dilithium;tris(N,N'-bis(4-methylphenyl)methanimidamide)
CID 50933370
2-(4-methylsulfanylanilino)acetonitrile
CID 28573203
N,N-dimethyl-4-[(4-methylsulfanylphenyl)diazenyl]aniline
CID 145427736
(4-methylsulfanylphenyl)-phenyldiazene
CID 23247472
1,4-bis(methylsulfanyl)benzene;methanol
CID 143321779
1-bromo-4-methylsulfanyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 76972933
(4-methylsulfanylphenyl)-(1-oxidopyridin-1-ium-4-yl)diazene
CID 127243717

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-[5-(4-methylsulfanylphenyl)iminopenta-1,3-dienyl]aniline?
The IUPAC name of 4-methylsulfanyl-N-[5-(4-methylsulfanylphenyl)iminopenta-1,3-dienyl]aniline (CID 74935118) is 4-methylsulfanyl-N-[5-(4-methylsulfanylphenyl)iminopenta-1,3-dienyl]aniline.
What is the SMILES notation for 4-methylsulfanyl-N-[5-(4-methylsulfanylphenyl)iminopenta-1,3-dienyl]aniline?
The canonical SMILES for 4-methylsulfanyl-N-[5-(4-methylsulfanylphenyl)iminopenta-1,3-dienyl]aniline is CSc1ccc(/N=C/C=CC=CNc2ccc(SC)cc2)cc1.
What is the InChIKey of 4-methylsulfanyl-N-[5-(4-methylsulfanylphenyl)iminopenta-1,3-dienyl]aniline?
The InChIKey is XPKUGUKJYXWUMK-VMJLTXDHSA-N. The full InChI is InChI=1S/C19H20N2S2/c1-22-18-10-6-16(7-11-18)20-14-4-3-5-15-21-17-8-12-19(23-2)13-9-17/h3-15,20H,1-2H3/b5-3?,14-4?,21-15+.
What are the key properties of 4-methylsulfanyl-N-[5-(4-methylsulfanylphenyl)iminopenta-1,3-dienyl]aniline?
4-methylsulfanyl-N-[5-(4-methylsulfanylphenyl)iminopenta-1,3-dienyl]aniline has a molecular weight of 340.52 g/mol, XLogP of 6.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-[5-(4-methylsulfanylphenyl)iminopenta-1,3-dienyl]aniline is sourced from PubChem (CID 74935118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).