2-(2-chloroethylsulfanylmethyl)-5-methyloxolane

C8H15ClOS — CID 103144052

IUPAC2-(2-chloroethylsulfanylmethyl)-5-methyloxolane
SMILESCC1CCC(CSCCCl)O1
InChIInChI=1S/C8H15ClOS/c1-7-2-3-8(10-7)6-11-5-4-9/h7-8H,2-6H2,1H3
InChIKeyWEWMKDQAZHJNJX-UHFFFAOYSA-N
MW194.73 g/mol
LogP2.53
Rot. Bonds4

About 2-(2-chloroethylsulfanylmethyl)-5-methyloxolane

2-(2-chloroethylsulfanylmethyl)-5-methyloxolane (PubChem CID 103144052) has the molecular formula C8H15ClOS and a molecular weight of 194.73 g/mol. Its IUPAC name is 2-(2-chloroethylsulfanylmethyl)-5-methyloxolane.

Molecular Properties

Compound Name2-(2-chloroethylsulfanylmethyl)-5-methyloxolane
PubChem CID103144052
Molecular FormulaC8H15ClOS
Molecular Weight194.73 g/mol
Exact Mass194.05
IUPAC Name2-(2-chloroethylsulfanylmethyl)-5-methyloxolane
SMILESCC1CCC(CSCCCl)O1
InChIInChI=1S/C8H15ClOS/c1-7-2-3-8(10-7)6-11-5-4-9/h7-8H,2-6H2,1H3
InChIKeyWEWMKDQAZHJNJX-UHFFFAOYSA-N
XLogP2.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.73
LogP ≤ 52.53
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-(Chloromethyl)-1-(2-hexylthioethoxy)pentane
CID 3576590
2-(Chloromethyl)-1-oxa-4-thiaspiro[4.4]nonane
CID 12859442
(2S)-1-chloro-2-(2-hexylsulfanylethoxy)hexane
CID 40535155
(2R)-1-chloro-2-(2-hexylsulfanylethoxy)hexane
CID 40535158
(2R)-2-(chloromethyl)-1-oxa-4-thiaspiro[4.5]decane
CID 92168032
(2S)-2-(chloromethyl)-1-oxa-4-thiaspiro[4.5]decane
CID 92170634
2-(3-Chloropropylsulfanylmethyl)-5-methyloxolane
CID 103144053

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethylsulfanylmethyl)-5-methyloxolane?
The IUPAC name of 2-(2-chloroethylsulfanylmethyl)-5-methyloxolane (CID 103144052) is 2-(2-chloroethylsulfanylmethyl)-5-methyloxolane.
What is the SMILES notation for 2-(2-chloroethylsulfanylmethyl)-5-methyloxolane?
The canonical SMILES for 2-(2-chloroethylsulfanylmethyl)-5-methyloxolane is CC1CCC(CSCCCl)O1.
What is the InChIKey of 2-(2-chloroethylsulfanylmethyl)-5-methyloxolane?
The InChIKey is WEWMKDQAZHJNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClOS/c1-7-2-3-8(10-7)6-11-5-4-9/h7-8H,2-6H2,1H3.
What are the key properties of 2-(2-chloroethylsulfanylmethyl)-5-methyloxolane?
2-(2-chloroethylsulfanylmethyl)-5-methyloxolane has a molecular weight of 194.73 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethylsulfanylmethyl)-5-methyloxolane is sourced from PubChem (CID 103144052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).