2-chloro-3-(chloromethylsulfanyl)-2-methyloxolane

C6H10Cl2OS — CID 71320325

IUPAC2-chloro-3-(chloromethylsulfanyl)-2-methyloxolane
SMILESCC1(Cl)OCCC1SCCl
InChIInChI=1S/C6H10Cl2OS/c1-6(8)5(10-4-7)2-3-9-6/h5H,2-4H2,1H3
InChIKeyBTYSVTSSTMPDMT-UHFFFAOYSA-N
MW201.12 g/mol
LogP2.66
Rot. Bonds2

About 2-chloro-3-(chloromethylsulfanyl)-2-methyloxolane

2-chloro-3-(chloromethylsulfanyl)-2-methyloxolane (PubChem CID 71320325) has the molecular formula C6H10Cl2OS and a molecular weight of 201.12 g/mol. Its IUPAC name is 2-chloro-3-(chloromethylsulfanyl)-2-methyloxolane.

Molecular Properties

Compound Name2-chloro-3-(chloromethylsulfanyl)-2-methyloxolane
PubChem CID71320325
Molecular FormulaC6H10Cl2OS
Molecular Weight201.12 g/mol
Exact Mass199.98
IUPAC Name2-chloro-3-(chloromethylsulfanyl)-2-methyloxolane
SMILESCC1(Cl)OCCC1SCCl
InChIInChI=1S/C6H10Cl2OS/c1-6(8)5(10-4-7)2-3-9-6/h5H,2-4H2,1H3
InChIKeyBTYSVTSSTMPDMT-UHFFFAOYSA-N
XLogP2.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.12
LogP ≤ 52.66
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 2-chloro-3-(chloromethylsulfanyl)-2-methyloxolane?
The IUPAC name of 2-chloro-3-(chloromethylsulfanyl)-2-methyloxolane (CID 71320325) is 2-chloro-3-(chloromethylsulfanyl)-2-methyloxolane.
What is the SMILES notation for 2-chloro-3-(chloromethylsulfanyl)-2-methyloxolane?
The canonical SMILES for 2-chloro-3-(chloromethylsulfanyl)-2-methyloxolane is CC1(Cl)OCCC1SCCl.
What is the InChIKey of 2-chloro-3-(chloromethylsulfanyl)-2-methyloxolane?
The InChIKey is BTYSVTSSTMPDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl2OS/c1-6(8)5(10-4-7)2-3-9-6/h5H,2-4H2,1H3.
What are the key properties of 2-chloro-3-(chloromethylsulfanyl)-2-methyloxolane?
2-chloro-3-(chloromethylsulfanyl)-2-methyloxolane has a molecular weight of 201.12 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(chloromethylsulfanyl)-2-methyloxolane is sourced from PubChem (CID 71320325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).