(2S,5S)-2-(ethylsulfanylmethyl)-5-methyloxolane

C8H16OS — CID 177019089

IUPAC(2S,5S)-2-(ethylsulfanylmethyl)-5-methyloxolane
SMILESCCSC[C@@H]1CC[C@H](C)O1
InChIInChI=1S/C8H16OS/c1-3-10-6-8-5-4-7(2)9-8/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyWBFNJJHSLUFOHH-YUMQZZPRSA-N
MW160.28 g/mol
LogP2.31
Rot. Bonds3

About (2S,5S)-2-(ethylsulfanylmethyl)-5-methyloxolane

(2S,5S)-2-(ethylsulfanylmethyl)-5-methyloxolane (PubChem CID 177019089) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is (2S,5S)-2-(ethylsulfanylmethyl)-5-methyloxolane.

Molecular Properties

Compound Name(2S,5S)-2-(ethylsulfanylmethyl)-5-methyloxolane
PubChem CID177019089
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name(2S,5S)-2-(ethylsulfanylmethyl)-5-methyloxolane
SMILESCCSC[C@@H]1CC[C@H](C)O1
InChIInChI=1S/C8H16OS/c1-3-10-6-8-5-4-7(2)9-8/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyWBFNJJHSLUFOHH-YUMQZZPRSA-N
XLogP2.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Ethyl-3-(methylsulfanyl)oxolane
CID 15720837
1,3-Oxathiolane, 2-pentyl-
CID 11147880
2-[(Methylsulfanyl)methyl]tetrahydrofuran
CID 11789247
Tetrahydrofurfurylsulfide
CID 129750352
(2R,3S,4S)-3-butoxy-2-(butoxymethyl)-4-fluorothiolane
CID 118147394
(2R,3S,4S)-3-butoxy-2-(butoxymethyl)-4-fluoro-5-methylthiolane
CID 118516563
S-(2,5-dimethyloxolan-3-yl) ethanethioate
CID 124155846
2-(Ethoxymethyl)thiolane
CID 57745305
(2S,3S,4S,5S)-3,4-dimethoxy-2,5-dimethylthiolane
CID 129405891
2-Butyl-4-methyl-1,3-oxathiolane
CID 129801113
2-Ethylhexahydrobenzo[d][1,3]oxathiole
CID 132278931
1-Butylsulfanyl-4-methoxypentane
CID 134896767

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-(ethylsulfanylmethyl)-5-methyloxolane?
The IUPAC name of (2S,5S)-2-(ethylsulfanylmethyl)-5-methyloxolane (CID 177019089) is (2S,5S)-2-(ethylsulfanylmethyl)-5-methyloxolane.
What is the SMILES notation for (2S,5S)-2-(ethylsulfanylmethyl)-5-methyloxolane?
The canonical SMILES for (2S,5S)-2-(ethylsulfanylmethyl)-5-methyloxolane is CCSC[C@@H]1CC[C@H](C)O1.
What is the InChIKey of (2S,5S)-2-(ethylsulfanylmethyl)-5-methyloxolane?
The InChIKey is WBFNJJHSLUFOHH-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H16OS/c1-3-10-6-8-5-4-7(2)9-8/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (2S,5S)-2-(ethylsulfanylmethyl)-5-methyloxolane?
(2S,5S)-2-(ethylsulfanylmethyl)-5-methyloxolane has a molecular weight of 160.28 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-(ethylsulfanylmethyl)-5-methyloxolane is sourced from PubChem (CID 177019089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).