(4-methylphenyl)sulfanyl-[(E)-2-phenylethenyl]sulfanylmethanethione

C16H14S3 — CID 10685805

IUPAC(4-methylphenyl)sulfanyl-[(E)-2-phenylethenyl]sulfanylmethanethione
SMILESCc1ccc(SC(=S)S/C=C/c2ccccc2)cc1
InChIInChI=1S/C16H14S3/c1-13-7-9-15(10-8-13)19-16(17)18-12-11-14-5-3-2-4-6-14/h2-12H,1H3/b12-11+
InChIKeyQJWDKQBAQLGBHI-VAWYXSNFSA-N
MW302.49 g/mol
LogP5.78
Rot. Bonds3

About (4-methylphenyl)sulfanyl-[(E)-2-phenylethenyl]sulfanylmethanethione

(4-methylphenyl)sulfanyl-[(E)-2-phenylethenyl]sulfanylmethanethione (PubChem CID 10685805) has the molecular formula C16H14S3 and a molecular weight of 302.49 g/mol. Its IUPAC name is (4-methylphenyl)sulfanyl-[(E)-2-phenylethenyl]sulfanylmethanethione.

Molecular Properties

Compound Name(4-methylphenyl)sulfanyl-[(E)-2-phenylethenyl]sulfanylmethanethione
PubChem CID10685805
Molecular FormulaC16H14S3
Molecular Weight302.49 g/mol
Exact Mass302.03
IUPAC Name(4-methylphenyl)sulfanyl-[(E)-2-phenylethenyl]sulfanylmethanethione
SMILESCc1ccc(SC(=S)S/C=C/c2ccccc2)cc1
InChIInChI=1S/C16H14S3/c1-13-7-9-15(10-8-13)19-16(17)18-12-11-14-5-3-2-4-6-14/h2-12H,1H3/b12-11+
InChIKeyQJWDKQBAQLGBHI-VAWYXSNFSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.49
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-methylphenyl)sulfanyl-[(E)-2-phenylethenyl]sulfanylmethanethione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4-[(E)-2-phenylethenyl]sulfanylbenzene
CID 6082395
benzylsulfanyl-(4-methylphenyl)sulfanylmethanethione
CID 11289291
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
(E)-3-(methylamino)-3-(4-methylphenyl)sulfanyl-1-phenylprop-2-ene-1-thione
CID 11130337
1-methyl-4-[(E)-4-phenylbut-3-en-2-yl]sulfanylbenzene
CID 135039325
[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-triphenylphosphanium
CID 58231993
[(Z)-2-phenylethenyl] piperidine-1-carbodithioate
CID 102083338
(1E,4E)-1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one
CID 6175900
S-[(E)-2-phenylethenyl] benzenecarbothioate
CID 14024326
[(Z)-2-[(E)-2-phenylethenyl]sulfanylethenyl]benzene
CID 11276469
(Z)-3-(4-methylphenyl)sulfanyl-3-phenylprop-2-enoic acid
CID 5385343
S-[(E)-2-(4-methylphenyl)ethenyl]thiohydroxylamine
CID 143261626

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)sulfanyl-[(E)-2-phenylethenyl]sulfanylmethanethione?
The IUPAC name of (4-methylphenyl)sulfanyl-[(E)-2-phenylethenyl]sulfanylmethanethione (CID 10685805) is (4-methylphenyl)sulfanyl-[(E)-2-phenylethenyl]sulfanylmethanethione.
What is the SMILES notation for (4-methylphenyl)sulfanyl-[(E)-2-phenylethenyl]sulfanylmethanethione?
The canonical SMILES for (4-methylphenyl)sulfanyl-[(E)-2-phenylethenyl]sulfanylmethanethione is Cc1ccc(SC(=S)S/C=C/c2ccccc2)cc1.
What is the InChIKey of (4-methylphenyl)sulfanyl-[(E)-2-phenylethenyl]sulfanylmethanethione?
The InChIKey is QJWDKQBAQLGBHI-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H14S3/c1-13-7-9-15(10-8-13)19-16(17)18-12-11-14-5-3-2-4-6-14/h2-12H,1H3/b12-11+.
What are the key properties of (4-methylphenyl)sulfanyl-[(E)-2-phenylethenyl]sulfanylmethanethione?
(4-methylphenyl)sulfanyl-[(E)-2-phenylethenyl]sulfanylmethanethione has a molecular weight of 302.49 g/mol, XLogP of 5.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)sulfanyl-[(E)-2-phenylethenyl]sulfanylmethanethione is sourced from PubChem (CID 10685805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).