2-(4-chlorophenyl)-2-methyl-1,3-dithiolane

C10H11ClS2 — CID 22739

IUPAC2-(4-chlorophenyl)-2-methyl-1,3-dithiolane
SMILESCC1(c2ccc(Cl)cc2)SCCS1
InChIInChI=1S/C10H11ClS2/c1-10(12-6-7-13-10)8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3
InChIKeyYMBUWFFNNVVGFS-UHFFFAOYSA-N
MW230.78 g/mol
LogP3.99
Rot. Bonds1

About 2-(4-chlorophenyl)-2-methyl-1,3-dithiolane

2-(4-chlorophenyl)-2-methyl-1,3-dithiolane (PubChem CID 22739) has the molecular formula C10H11ClS2 and a molecular weight of 230.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-methyl-1,3-dithiolane.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-methyl-1,3-dithiolane
PubChem CID22739
Molecular FormulaC10H11ClS2
Molecular Weight230.78 g/mol
Exact Mass230.00
IUPAC Name2-(4-chlorophenyl)-2-methyl-1,3-dithiolane
SMILESCC1(c2ccc(Cl)cc2)SCCS1
InChIInChI=1S/C10H11ClS2/c1-10(12-6-7-13-10)8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3
InChIKeyYMBUWFFNNVVGFS-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.78
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-methyl-1,3-dithiolane?
The IUPAC name of 2-(4-chlorophenyl)-2-methyl-1,3-dithiolane (CID 22739) is 2-(4-chlorophenyl)-2-methyl-1,3-dithiolane.
What is the SMILES notation for 2-(4-chlorophenyl)-2-methyl-1,3-dithiolane?
The canonical SMILES for 2-(4-chlorophenyl)-2-methyl-1,3-dithiolane is CC1(c2ccc(Cl)cc2)SCCS1.
What is the InChIKey of 2-(4-chlorophenyl)-2-methyl-1,3-dithiolane?
The InChIKey is YMBUWFFNNVVGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClS2/c1-10(12-6-7-13-10)8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-2-methyl-1,3-dithiolane?
2-(4-chlorophenyl)-2-methyl-1,3-dithiolane has a molecular weight of 230.78 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-methyl-1,3-dithiolane is sourced from PubChem (CID 22739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).