1,1-dichlorothiolane

C4H8Cl2S — CID 13451032

IUPAC1,1-dichlorothiolane
SMILESClS1(Cl)CCCC1
InChIInChI=1S/C4H8Cl2S/c5-7(6)3-1-2-4-7/h1-4H2
InChIKeyGHUGWQHSCMJSPS-UHFFFAOYSA-N
MW159.08 g/mol
LogP2.89
Rot. Bonds

About 1,1-dichlorothiolane

1,1-dichlorothiolane (PubChem CID 13451032) has the molecular formula C4H8Cl2S and a molecular weight of 159.08 g/mol. Its IUPAC name is 1,1-dichlorothiolane.

Molecular Properties

Compound Name1,1-dichlorothiolane
PubChem CID13451032
Molecular FormulaC4H8Cl2S
Molecular Weight159.08 g/mol
Exact Mass157.97
IUPAC Name1,1-dichlorothiolane
SMILESClS1(Cl)CCCC1
InChIInChI=1S/C4H8Cl2S/c5-7(6)3-1-2-4-7/h1-4H2
InChIKeyGHUGWQHSCMJSPS-UHFFFAOYSA-N
XLogP2.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.08
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,1-dichlorothiolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-dichlorothiolane?
The IUPAC name of 1,1-dichlorothiolane (CID 13451032) is 1,1-dichlorothiolane.
What is the SMILES notation for 1,1-dichlorothiolane?
The canonical SMILES for 1,1-dichlorothiolane is ClS1(Cl)CCCC1.
What is the InChIKey of 1,1-dichlorothiolane?
The InChIKey is GHUGWQHSCMJSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Cl2S/c5-7(6)3-1-2-4-7/h1-4H2.
What are the key properties of 1,1-dichlorothiolane?
1,1-dichlorothiolane has a molecular weight of 159.08 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichlorothiolane is sourced from PubChem (CID 13451032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).