(2E)-4-methyl-2-(4-methyl-5-phenyl-1,3-dithiol-2-ylidene)-5-phenyl-1,3-dithiole

C20H16S4 — CID 6368458

IUPAC(2E)-4-methyl-2-(4-methyl-5-phenyl-1,3-dithiol-2-ylidene)-5-phenyl-1,3-dithiole
SMILESCC1=C(c2ccccc2)S/C(=C2\SC(C)=C(c3ccccc3)S2)S1
InChIInChI=1S/C20H16S4/c1-13-17(15-9-5-3-6-10-15)23-19(21-13)20-22-14(2)18(24-20)16-11-7-4-8-12-16/h3-12H,1-2H3/b20-19+
InChIKeyFMNLAZQSZLXKIK-FMQUCBEESA-N
MW384.62 g/mol
LogP7.85
Rot. Bonds2

About (2E)-4-methyl-2-(4-methyl-5-phenyl-1,3-dithiol-2-ylidene)-5-phenyl-1,3-dithiole

(2E)-4-methyl-2-(4-methyl-5-phenyl-1,3-dithiol-2-ylidene)-5-phenyl-1,3-dithiole (PubChem CID 6368458) has the molecular formula C20H16S4 and a molecular weight of 384.62 g/mol. Its IUPAC name is (2E)-4-methyl-2-(4-methyl-5-phenyl-1,3-dithiol-2-ylidene)-5-phenyl-1,3-dithiole.

Molecular Properties

Compound Name(2E)-4-methyl-2-(4-methyl-5-phenyl-1,3-dithiol-2-ylidene)-5-phenyl-1,3-dithiole
PubChem CID6368458
Molecular FormulaC20H16S4
Molecular Weight384.62 g/mol
Exact Mass384.01
IUPAC Name(2E)-4-methyl-2-(4-methyl-5-phenyl-1,3-dithiol-2-ylidene)-5-phenyl-1,3-dithiole
SMILESCC1=C(c2ccccc2)S/C(=C2\SC(C)=C(c3ccccc3)S2)S1
InChIInChI=1S/C20H16S4/c1-13-17(15-9-5-3-6-10-15)23-19(21-13)20-22-14(2)18(24-20)16-11-7-4-8-12-16/h3-12H,1-2H3/b20-19+
InChIKeyFMNLAZQSZLXKIK-FMQUCBEESA-N
XLogP7.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.62
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2E)-4-methyl-2-(4-methyl-5-phenyl-1,3-dithiol-2-ylidene)-5-phenyl-1,3-dithiole?
The IUPAC name of (2E)-4-methyl-2-(4-methyl-5-phenyl-1,3-dithiol-2-ylidene)-5-phenyl-1,3-dithiole (CID 6368458) is (2E)-4-methyl-2-(4-methyl-5-phenyl-1,3-dithiol-2-ylidene)-5-phenyl-1,3-dithiole.
What is the SMILES notation for (2E)-4-methyl-2-(4-methyl-5-phenyl-1,3-dithiol-2-ylidene)-5-phenyl-1,3-dithiole?
The canonical SMILES for (2E)-4-methyl-2-(4-methyl-5-phenyl-1,3-dithiol-2-ylidene)-5-phenyl-1,3-dithiole is CC1=C(c2ccccc2)S/C(=C2\SC(C)=C(c3ccccc3)S2)S1.
What is the InChIKey of (2E)-4-methyl-2-(4-methyl-5-phenyl-1,3-dithiol-2-ylidene)-5-phenyl-1,3-dithiole?
The InChIKey is FMNLAZQSZLXKIK-FMQUCBEESA-N. The full InChI is InChI=1S/C20H16S4/c1-13-17(15-9-5-3-6-10-15)23-19(21-13)20-22-14(2)18(24-20)16-11-7-4-8-12-16/h3-12H,1-2H3/b20-19+.
What are the key properties of (2E)-4-methyl-2-(4-methyl-5-phenyl-1,3-dithiol-2-ylidene)-5-phenyl-1,3-dithiole?
(2E)-4-methyl-2-(4-methyl-5-phenyl-1,3-dithiol-2-ylidene)-5-phenyl-1,3-dithiole has a molecular weight of 384.62 g/mol, XLogP of 7.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-methyl-2-(4-methyl-5-phenyl-1,3-dithiol-2-ylidene)-5-phenyl-1,3-dithiole is sourced from PubChem (CID 6368458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).