2,2-bis(4-methylphenyl)thiolane

C18H20S — CID 10516072

IUPAC2,2-bis(4-methylphenyl)thiolane
SMILESCc1ccc(C2(c3ccc(C)cc3)CCCS2)cc1
InChIInChI=1S/C18H20S/c1-14-4-8-16(9-5-14)18(12-3-13-19-18)17-10-6-15(2)7-11-17/h4-11H,3,12-13H2,1-2H3
InChIKeyDEOWTSQVMKUVKA-UHFFFAOYSA-N
MW268.43 g/mol
LogP5.07
Rot. Bonds2

About 2,2-bis(4-methylphenyl)thiolane

2,2-bis(4-methylphenyl)thiolane (PubChem CID 10516072) has the molecular formula C18H20S and a molecular weight of 268.43 g/mol. Its IUPAC name is 2,2-bis(4-methylphenyl)thiolane.

Molecular Properties

Compound Name2,2-bis(4-methylphenyl)thiolane
PubChem CID10516072
Molecular FormulaC18H20S
Molecular Weight268.43 g/mol
Exact Mass268.13
IUPAC Name2,2-bis(4-methylphenyl)thiolane
SMILESCc1ccc(C2(c3ccc(C)cc3)CCCS2)cc1
InChIInChI=1S/C18H20S/c1-14-4-8-16(9-5-14)18(12-3-13-19-18)17-10-6-15(2)7-11-17/h4-11H,3,12-13H2,1-2H3
InChIKeyDEOWTSQVMKUVKA-UHFFFAOYSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.43
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-methylphenyl)thiolane?
The IUPAC name of 2,2-bis(4-methylphenyl)thiolane (CID 10516072) is 2,2-bis(4-methylphenyl)thiolane.
What is the SMILES notation for 2,2-bis(4-methylphenyl)thiolane?
The canonical SMILES for 2,2-bis(4-methylphenyl)thiolane is Cc1ccc(C2(c3ccc(C)cc3)CCCS2)cc1.
What is the InChIKey of 2,2-bis(4-methylphenyl)thiolane?
The InChIKey is DEOWTSQVMKUVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20S/c1-14-4-8-16(9-5-14)18(12-3-13-19-18)17-10-6-15(2)7-11-17/h4-11H,3,12-13H2,1-2H3.
What are the key properties of 2,2-bis(4-methylphenyl)thiolane?
2,2-bis(4-methylphenyl)thiolane has a molecular weight of 268.43 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-methylphenyl)thiolane is sourced from PubChem (CID 10516072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).