2,2-diphenylthiolane

C16H16S — CID 10490249

IUPAC2,2-diphenylthiolane
SMILESc1ccc(C2(c3ccccc3)CCCS2)cc1
InChIInChI=1S/C16H16S/c1-3-8-14(9-4-1)16(12-7-13-17-16)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKeyCRONHQHPBCSFCV-UHFFFAOYSA-N
MW240.37 g/mol
LogP4.46
Rot. Bonds2

About 2,2-diphenylthiolane

2,2-diphenylthiolane (PubChem CID 10490249) has the molecular formula C16H16S and a molecular weight of 240.37 g/mol. Its IUPAC name is 2,2-diphenylthiolane.

Molecular Properties

Compound Name2,2-diphenylthiolane
PubChem CID10490249
Molecular FormulaC16H16S
Molecular Weight240.37 g/mol
Exact Mass240.10
IUPAC Name2,2-diphenylthiolane
SMILESc1ccc(C2(c3ccccc3)CCCS2)cc1
InChIInChI=1S/C16H16S/c1-3-8-14(9-4-1)16(12-7-13-17-16)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKeyCRONHQHPBCSFCV-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-diphenylthiolane?
The IUPAC name of 2,2-diphenylthiolane (CID 10490249) is 2,2-diphenylthiolane.
What is the SMILES notation for 2,2-diphenylthiolane?
The canonical SMILES for 2,2-diphenylthiolane is c1ccc(C2(c3ccccc3)CCCS2)cc1.
What is the InChIKey of 2,2-diphenylthiolane?
The InChIKey is CRONHQHPBCSFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16S/c1-3-8-14(9-4-1)16(12-7-13-17-16)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2.
What are the key properties of 2,2-diphenylthiolane?
2,2-diphenylthiolane has a molecular weight of 240.37 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenylthiolane is sourced from PubChem (CID 10490249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).