2-(4-methylphenyl)-2-phenyl-1,3-dithiolane

C16H16S2 — CID 12579245

IUPAC2-(4-methylphenyl)-2-phenyl-1,3-dithiolane
SMILESCc1ccc(C2(c3ccccc3)SCCS2)cc1
InChIInChI=1S/C16H16S2/c1-13-7-9-15(10-8-13)16(17-11-12-18-16)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyFPIGXBJIZHUZQD-UHFFFAOYSA-N
MW272.44 g/mol
LogP4.68
Rot. Bonds2

About 2-(4-methylphenyl)-2-phenyl-1,3-dithiolane

2-(4-methylphenyl)-2-phenyl-1,3-dithiolane (PubChem CID 12579245) has the molecular formula C16H16S2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-(4-methylphenyl)-2-phenyl-1,3-dithiolane.

Molecular Properties

Compound Name2-(4-methylphenyl)-2-phenyl-1,3-dithiolane
PubChem CID12579245
Molecular FormulaC16H16S2
Molecular Weight272.44 g/mol
Exact Mass272.07
IUPAC Name2-(4-methylphenyl)-2-phenyl-1,3-dithiolane
SMILESCc1ccc(C2(c3ccccc3)SCCS2)cc1
InChIInChI=1S/C16H16S2/c1-13-7-9-15(10-8-13)16(17-11-12-18-16)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyFPIGXBJIZHUZQD-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-2-phenyl-1,3-dithiolane?
The IUPAC name of 2-(4-methylphenyl)-2-phenyl-1,3-dithiolane (CID 12579245) is 2-(4-methylphenyl)-2-phenyl-1,3-dithiolane.
What is the SMILES notation for 2-(4-methylphenyl)-2-phenyl-1,3-dithiolane?
The canonical SMILES for 2-(4-methylphenyl)-2-phenyl-1,3-dithiolane is Cc1ccc(C2(c3ccccc3)SCCS2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-2-phenyl-1,3-dithiolane?
The InChIKey is FPIGXBJIZHUZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16S2/c1-13-7-9-15(10-8-13)16(17-11-12-18-16)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3.
What are the key properties of 2-(4-methylphenyl)-2-phenyl-1,3-dithiolane?
2-(4-methylphenyl)-2-phenyl-1,3-dithiolane has a molecular weight of 272.44 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-2-phenyl-1,3-dithiolane is sourced from PubChem (CID 12579245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).