3-(4-chlorophenyl)sulfanylthiolane

C10H11ClS2 — CID 138663261

IUPAC3-(4-chlorophenyl)sulfanylthiolane
SMILESClc1ccc(SC2CCSC2)cc1
InChIInChI=1S/C10H11ClS2/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10/h1-4,10H,5-7H2
InChIKeyYCZXWLKJKBIBED-UHFFFAOYSA-N
MW230.78 g/mol
LogP3.94
Rot. Bonds2

About 3-(4-chlorophenyl)sulfanylthiolane

3-(4-chlorophenyl)sulfanylthiolane (PubChem CID 138663261) has the molecular formula C10H11ClS2 and a molecular weight of 230.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanylthiolane.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanylthiolane
PubChem CID138663261
Molecular FormulaC10H11ClS2
Molecular Weight230.78 g/mol
Exact Mass230.00
IUPAC Name3-(4-chlorophenyl)sulfanylthiolane
SMILESClc1ccc(SC2CCSC2)cc1
InChIInChI=1S/C10H11ClS2/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10/h1-4,10H,5-7H2
InChIKeyYCZXWLKJKBIBED-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.78
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanylthiolane?
The IUPAC name of 3-(4-chlorophenyl)sulfanylthiolane (CID 138663261) is 3-(4-chlorophenyl)sulfanylthiolane.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanylthiolane?
The canonical SMILES for 3-(4-chlorophenyl)sulfanylthiolane is Clc1ccc(SC2CCSC2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanylthiolane?
The InChIKey is YCZXWLKJKBIBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClS2/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10/h1-4,10H,5-7H2.
What are the key properties of 3-(4-chlorophenyl)sulfanylthiolane?
3-(4-chlorophenyl)sulfanylthiolane has a molecular weight of 230.78 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanylthiolane is sourced from PubChem (CID 138663261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).