2-(3-chloropropylsulfanylmethyl)-5-methyloxolane

C9H17ClOS — CID 103144053

IUPAC2-(3-chloropropylsulfanylmethyl)-5-methyloxolane
SMILESCC1CCC(CSCCCCl)O1
InChIInChI=1S/C9H17ClOS/c1-8-3-4-9(11-8)7-12-6-2-5-10/h8-9H,2-7H2,1H3
InChIKeyUIHXCFKLSCQUFZ-UHFFFAOYSA-N
MW208.75 g/mol
LogP2.92
Rot. Bonds5

About 2-(3-chloropropylsulfanylmethyl)-5-methyloxolane

2-(3-chloropropylsulfanylmethyl)-5-methyloxolane (PubChem CID 103144053) has the molecular formula C9H17ClOS and a molecular weight of 208.75 g/mol. Its IUPAC name is 2-(3-chloropropylsulfanylmethyl)-5-methyloxolane.

Molecular Properties

Compound Name2-(3-chloropropylsulfanylmethyl)-5-methyloxolane
PubChem CID103144053
Molecular FormulaC9H17ClOS
Molecular Weight208.75 g/mol
Exact Mass208.07
IUPAC Name2-(3-chloropropylsulfanylmethyl)-5-methyloxolane
SMILESCC1CCC(CSCCCCl)O1
InChIInChI=1S/C9H17ClOS/c1-8-3-4-9(11-8)7-12-6-2-5-10/h8-9H,2-7H2,1H3
InChIKeyUIHXCFKLSCQUFZ-UHFFFAOYSA-N
XLogP2.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.75
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Chloromethyl)-1-oxa-4-thiaspiro[4.5]decane
CID 317121
2-(3-Chloropropyl)-2-ethyl-1,3-oxathiolane
CID 100998761
2-(1-Chloropentyl)-1,3-oxathiolane
CID 21762781
2-(1-Ethoxyethyl)thiolane
CID 173000646
(2S,5S)-2-(ethylsulfanylmethyl)-5-methyloxolane
CID 177019089
1-Chloro-2-(2-hexylsulfanylethoxy)cyclopentane
CID 3363599
1-(Chloromethyl)-1-(2-hexylthioethoxy)pentane
CID 3576590
2-(Chloromethyl)-1-oxa-4-thiaspiro[4.4]nonane
CID 12859442
(1S)-1-chloro-2-(2-hexylthioethoxy)cyclopentane
CID 18526978
(2S)-1-chloro-2-(2-hexylsulfanylethoxy)hexane
CID 40535155
cis-(1S,2R)-1-chloro-2-(2-hexylsulfanylethoxy)cyclopentane
CID 40535157
(2R)-1-chloro-2-(2-hexylsulfanylethoxy)hexane
CID 40535158

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropylsulfanylmethyl)-5-methyloxolane?
The IUPAC name of 2-(3-chloropropylsulfanylmethyl)-5-methyloxolane (CID 103144053) is 2-(3-chloropropylsulfanylmethyl)-5-methyloxolane.
What is the SMILES notation for 2-(3-chloropropylsulfanylmethyl)-5-methyloxolane?
The canonical SMILES for 2-(3-chloropropylsulfanylmethyl)-5-methyloxolane is CC1CCC(CSCCCCl)O1.
What is the InChIKey of 2-(3-chloropropylsulfanylmethyl)-5-methyloxolane?
The InChIKey is UIHXCFKLSCQUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClOS/c1-8-3-4-9(11-8)7-12-6-2-5-10/h8-9H,2-7H2,1H3.
What are the key properties of 2-(3-chloropropylsulfanylmethyl)-5-methyloxolane?
2-(3-chloropropylsulfanylmethyl)-5-methyloxolane has a molecular weight of 208.75 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropylsulfanylmethyl)-5-methyloxolane is sourced from PubChem (CID 103144053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).