3,4-dichloro-2,2-diphenylthietane

C15H12Cl2S — CID 5256015

IUPAC3,4-dichloro-2,2-diphenylthietane
SMILESClC1SC(c2ccccc2)(c2ccccc2)C1Cl
InChIInChI=1S/C15H12Cl2S/c16-13-14(17)18-15(13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H
InChIKeyFWLWWTKZARIOLY-UHFFFAOYSA-N
MW295.23 g/mol
LogP4.85
Rot. Bonds2

About 3,4-dichloro-2,2-diphenylthietane

3,4-dichloro-2,2-diphenylthietane (PubChem CID 5256015) has the molecular formula C15H12Cl2S and a molecular weight of 295.23 g/mol. Its IUPAC name is 3,4-dichloro-2,2-diphenylthietane.

Molecular Properties

Compound Name3,4-dichloro-2,2-diphenylthietane
PubChem CID5256015
Molecular FormulaC15H12Cl2S
Molecular Weight295.23 g/mol
Exact Mass294.00
IUPAC Name3,4-dichloro-2,2-diphenylthietane
SMILESClC1SC(c2ccccc2)(c2ccccc2)C1Cl
InChIInChI=1S/C15H12Cl2S/c16-13-14(17)18-15(13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H
InChIKeyFWLWWTKZARIOLY-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.23
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-2,2-diphenylthietane?
The IUPAC name of 3,4-dichloro-2,2-diphenylthietane (CID 5256015) is 3,4-dichloro-2,2-diphenylthietane.
What is the SMILES notation for 3,4-dichloro-2,2-diphenylthietane?
The canonical SMILES for 3,4-dichloro-2,2-diphenylthietane is ClC1SC(c2ccccc2)(c2ccccc2)C1Cl.
What is the InChIKey of 3,4-dichloro-2,2-diphenylthietane?
The InChIKey is FWLWWTKZARIOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2S/c16-13-14(17)18-15(13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H.
What are the key properties of 3,4-dichloro-2,2-diphenylthietane?
3,4-dichloro-2,2-diphenylthietane has a molecular weight of 295.23 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-2,2-diphenylthietane is sourced from PubChem (CID 5256015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).