5-chloro-2-methylthiane 1,1-dioxide

C6H11ClO2S — CID 13280511

IUPAC5-chloro-2-methylthiane 1,1-dioxide
SMILESCC1CCC(Cl)CS1(=O)=O
InChIInChI=1S/C6H11ClO2S/c1-5-2-3-6(7)4-10(5,8)9/h5-6H,2-4H2,1H3
InChIKeyHLOYKZQGJREQRZ-UHFFFAOYSA-N
MW182.67 g/mol
LogP1.19
Rot. Bonds

About 5-chloro-2-methylthiane 1,1-dioxide

5-chloro-2-methylthiane 1,1-dioxide (PubChem CID 13280511) has the molecular formula C6H11ClO2S and a molecular weight of 182.67 g/mol. Its IUPAC name is 5-chloro-2-methylthiane 1,1-dioxide.

Molecular Properties

Compound Name5-chloro-2-methylthiane 1,1-dioxide
PubChem CID13280511
Molecular FormulaC6H11ClO2S
Molecular Weight182.67 g/mol
Exact Mass182.02
IUPAC Name5-chloro-2-methylthiane 1,1-dioxide
SMILESCC1CCC(Cl)CS1(=O)=O
InChIInChI=1S/C6H11ClO2S/c1-5-2-3-6(7)4-10(5,8)9/h5-6H,2-4H2,1H3
InChIKeyHLOYKZQGJREQRZ-UHFFFAOYSA-N
XLogP1.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.67
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methylthiane 1,1-dioxide?
The IUPAC name of 5-chloro-2-methylthiane 1,1-dioxide (CID 13280511) is 5-chloro-2-methylthiane 1,1-dioxide.
What is the SMILES notation for 5-chloro-2-methylthiane 1,1-dioxide?
The canonical SMILES for 5-chloro-2-methylthiane 1,1-dioxide is CC1CCC(Cl)CS1(=O)=O.
What is the InChIKey of 5-chloro-2-methylthiane 1,1-dioxide?
The InChIKey is HLOYKZQGJREQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO2S/c1-5-2-3-6(7)4-10(5,8)9/h5-6H,2-4H2,1H3.
What are the key properties of 5-chloro-2-methylthiane 1,1-dioxide?
5-chloro-2-methylthiane 1,1-dioxide has a molecular weight of 182.67 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methylthiane 1,1-dioxide is sourced from PubChem (CID 13280511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).