3-(3-chloropropyl)thiolane 1,1-dioxide

C7H13ClO2S — CID 159466614

IUPAC3-(3-chloropropyl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(CCCCl)C1
InChIInChI=1S/C7H13ClO2S/c8-4-1-2-7-3-5-11(9,10)6-7/h7H,1-6H2
InChIKeyLVGMVFZKBPOMIG-UHFFFAOYSA-N
MW196.70 g/mol
LogP1.44
Rot. Bonds3

About 3-(3-chloropropyl)thiolane 1,1-dioxide

3-(3-chloropropyl)thiolane 1,1-dioxide (PubChem CID 159466614) has the molecular formula C7H13ClO2S and a molecular weight of 196.70 g/mol. Its IUPAC name is 3-(3-chloropropyl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(3-chloropropyl)thiolane 1,1-dioxide
PubChem CID159466614
Molecular FormulaC7H13ClO2S
Molecular Weight196.70 g/mol
Exact Mass196.03
IUPAC Name3-(3-chloropropyl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(CCCCl)C1
InChIInChI=1S/C7H13ClO2S/c8-4-1-2-7-3-5-11(9,10)6-7/h7H,1-6H2
InChIKeyLVGMVFZKBPOMIG-UHFFFAOYSA-N
XLogP1.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.70
LogP ≤ 51.44
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 3-(3-chloropropyl)thiolane 1,1-dioxide?
The IUPAC name of 3-(3-chloropropyl)thiolane 1,1-dioxide (CID 159466614) is 3-(3-chloropropyl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(3-chloropropyl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(3-chloropropyl)thiolane 1,1-dioxide is O=S1(=O)CCC(CCCCl)C1.
What is the InChIKey of 3-(3-chloropropyl)thiolane 1,1-dioxide?
The InChIKey is LVGMVFZKBPOMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO2S/c8-4-1-2-7-3-5-11(9,10)6-7/h7H,1-6H2.
What are the key properties of 3-(3-chloropropyl)thiolane 1,1-dioxide?
3-(3-chloropropyl)thiolane 1,1-dioxide has a molecular weight of 196.70 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloropropyl)thiolane 1,1-dioxide is sourced from PubChem (CID 159466614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).