2-(2,6-dichlorophenyl)propane-2-thiol

C9H10Cl2S — CID 146376660

IUPAC2-(2,6-dichlorophenyl)propane-2-thiol
SMILESCC(C)(S)c1c(Cl)cccc1Cl
InChIInChI=1S/C9H10Cl2S/c1-9(2,12)8-6(10)4-3-5-7(8)11/h3-5,12H,1-2H3
InChIKeyZGJBBVSZUZQLOO-UHFFFAOYSA-N
MW221.15 g/mol
LogP4.16
Rot. Bonds1

About 2-(2,6-dichlorophenyl)propane-2-thiol

2-(2,6-dichlorophenyl)propane-2-thiol (PubChem CID 146376660) has the molecular formula C9H10Cl2S and a molecular weight of 221.15 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)propane-2-thiol.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)propane-2-thiol
PubChem CID146376660
Molecular FormulaC9H10Cl2S
Molecular Weight221.15 g/mol
Exact Mass219.99
IUPAC Name2-(2,6-dichlorophenyl)propane-2-thiol
SMILESCC(C)(S)c1c(Cl)cccc1Cl
InChIInChI=1S/C9H10Cl2S/c1-9(2,12)8-6(10)4-3-5-7(8)11/h3-5,12H,1-2H3
InChIKeyZGJBBVSZUZQLOO-UHFFFAOYSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.15
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)propane-2-thiol?
The IUPAC name of 2-(2,6-dichlorophenyl)propane-2-thiol (CID 146376660) is 2-(2,6-dichlorophenyl)propane-2-thiol.
What is the SMILES notation for 2-(2,6-dichlorophenyl)propane-2-thiol?
The canonical SMILES for 2-(2,6-dichlorophenyl)propane-2-thiol is CC(C)(S)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)propane-2-thiol?
The InChIKey is ZGJBBVSZUZQLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2S/c1-9(2,12)8-6(10)4-3-5-7(8)11/h3-5,12H,1-2H3.
What are the key properties of 2-(2,6-dichlorophenyl)propane-2-thiol?
2-(2,6-dichlorophenyl)propane-2-thiol has a molecular weight of 221.15 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)propane-2-thiol is sourced from PubChem (CID 146376660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).