3-(3-chloro-2-methylpropyl)sulfanyl-2-methyloxolane

C9H17ClOS — CID 107746833

IUPAC3-(3-chloro-2-methylpropyl)sulfanyl-2-methyloxolane
SMILESCC(CCl)CSC1CCOC1C
InChIInChI=1S/C9H17ClOS/c1-7(5-10)6-12-9-3-4-11-8(9)2/h7-9H,3-6H2,1-2H3
InChIKeyKOSBMWOITLAPFI-UHFFFAOYSA-N
MW208.75 g/mol
LogP2.77
Rot. Bonds4

About 3-(3-chloro-2-methylpropyl)sulfanyl-2-methyloxolane

3-(3-chloro-2-methylpropyl)sulfanyl-2-methyloxolane (PubChem CID 107746833) has the molecular formula C9H17ClOS and a molecular weight of 208.75 g/mol. Its IUPAC name is 3-(3-chloro-2-methylpropyl)sulfanyl-2-methyloxolane.

Molecular Properties

Compound Name3-(3-chloro-2-methylpropyl)sulfanyl-2-methyloxolane
PubChem CID107746833
Molecular FormulaC9H17ClOS
Molecular Weight208.75 g/mol
Exact Mass208.07
IUPAC Name3-(3-chloro-2-methylpropyl)sulfanyl-2-methyloxolane
SMILESCC(CCl)CSC1CCOC1C
InChIInChI=1S/C9H17ClOS/c1-7(5-10)6-12-9-3-4-11-8(9)2/h7-9H,3-6H2,1-2H3
InChIKeyKOSBMWOITLAPFI-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.75
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(3-chloro-2-methylpropyl)sulfanyl-2-methyloxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl-[2-(chloromethyl)-3-propan-2-yloxypropyl]-dimethyl-lambda4-sulfane
CID 129267236
2-(3-Chloro-2-methylpropyl)sulfanyloxane
CID 139789286
4-(3-Chloro-2-methylpropyl)sulfanyloxane
CID 64229661
3-(2-Butoxyethyl)-4-chlorothiolane
CID 83190056
3-Chloro-4-(2-ethoxyethyl)thiolane
CID 83190406
3-Chloro-4-[2-(3-methylbutoxy)ethyl]thiolane
CID 83190956
3-Chloro-4-(2-propan-2-yloxyethyl)thiolane
CID 83191253
2-(2-Chloroethylsulfanylmethyl)-5-methyloxolane
CID 103144052
2-(3-Chloropropylsulfanylmethyl)-5-methyloxolane
CID 103144053
2-(4-Chlorobutan-2-ylsulfanylmethyl)-5-methyloxolane
CID 103144058
2-[(3-Chloro-2-methylpropyl)sulfanylmethyl]-5-methyloxolane
CID 103144060
2-(1-Chloropropan-2-ylsulfanylmethyl)-5-methyloxolane
CID 103144062

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methylpropyl)sulfanyl-2-methyloxolane?
The IUPAC name of 3-(3-chloro-2-methylpropyl)sulfanyl-2-methyloxolane (CID 107746833) is 3-(3-chloro-2-methylpropyl)sulfanyl-2-methyloxolane.
What is the SMILES notation for 3-(3-chloro-2-methylpropyl)sulfanyl-2-methyloxolane?
The canonical SMILES for 3-(3-chloro-2-methylpropyl)sulfanyl-2-methyloxolane is CC(CCl)CSC1CCOC1C.
What is the InChIKey of 3-(3-chloro-2-methylpropyl)sulfanyl-2-methyloxolane?
The InChIKey is KOSBMWOITLAPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClOS/c1-7(5-10)6-12-9-3-4-11-8(9)2/h7-9H,3-6H2,1-2H3.
What are the key properties of 3-(3-chloro-2-methylpropyl)sulfanyl-2-methyloxolane?
3-(3-chloro-2-methylpropyl)sulfanyl-2-methyloxolane has a molecular weight of 208.75 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methylpropyl)sulfanyl-2-methyloxolane is sourced from PubChem (CID 107746833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).