2-methyl-3-(thiophen-2-ylmethylsulfanyl)oxolane

C10H14OS2 — CID 127000169

IUPAC2-methyl-3-(thiophen-2-ylmethylsulfanyl)oxolane
SMILESCC1OCCC1SCc1cccs1
InChIInChI=1S/C10H14OS2/c1-8-10(4-5-11-8)13-7-9-3-2-6-12-9/h2-3,6,8,10H,4-5,7H2,1H3
InChIKeyBKXGCZLLYCIJLT-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.16
Rot. Bonds3

About 2-methyl-3-(thiophen-2-ylmethylsulfanyl)oxolane

2-methyl-3-(thiophen-2-ylmethylsulfanyl)oxolane (PubChem CID 127000169) has the molecular formula C10H14OS2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-methyl-3-(thiophen-2-ylmethylsulfanyl)oxolane.

Molecular Properties

Compound Name2-methyl-3-(thiophen-2-ylmethylsulfanyl)oxolane
PubChem CID127000169
Molecular FormulaC10H14OS2
Molecular Weight214.35 g/mol
Exact Mass214.05
IUPAC Name2-methyl-3-(thiophen-2-ylmethylsulfanyl)oxolane
SMILESCC1OCCC1SCc1cccs1
InChIInChI=1S/C10H14OS2/c1-8-10(4-5-11-8)13-7-9-3-2-6-12-9/h2-3,6,8,10H,4-5,7H2,1H3
InChIKeyBKXGCZLLYCIJLT-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-3-[(3-chlorothiophen-2-yl)methylsulfanyl]-2-methyloxolane
CID 100753713
4-(2-methyloxolan-3-yl)sulfanyl-1-thiophen-2-ylbutan-1-one
CID 103847347
2-(cyclopentylsulfanylmethyl)thiophene
CID 130677399
(2S,3R)-2-methyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine
CID 97358153
3-[5-[(2-methyloxolan-3-yl)sulfanylmethyl]thiophen-3-yl]prop-2-yn-1-amine
CID 107754405
1-(2-methyloxolan-3-yl)-2-thiophen-2-ylethanone
CID 79758315
3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-2-methyloxolane
CID 103847340
1-(2-methyloxolan-3-yl)-3-thiophen-2-ylpropan-1-amine
CID 115861130
4-(thiophen-2-ylmethylsulfanyl)azetidin-2-one
CID 54187790
3-[[(2R,3S)-2-methyloxolan-3-yl]sulfanylmethyl]benzamide
CID 97326732
2-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)oxolan-3-amine
CID 115751420
2-(methylsulfanylmethyl)thiophene
CID 12872111

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(thiophen-2-ylmethylsulfanyl)oxolane?
The IUPAC name of 2-methyl-3-(thiophen-2-ylmethylsulfanyl)oxolane (CID 127000169) is 2-methyl-3-(thiophen-2-ylmethylsulfanyl)oxolane.
What is the SMILES notation for 2-methyl-3-(thiophen-2-ylmethylsulfanyl)oxolane?
The canonical SMILES for 2-methyl-3-(thiophen-2-ylmethylsulfanyl)oxolane is CC1OCCC1SCc1cccs1.
What is the InChIKey of 2-methyl-3-(thiophen-2-ylmethylsulfanyl)oxolane?
The InChIKey is BKXGCZLLYCIJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS2/c1-8-10(4-5-11-8)13-7-9-3-2-6-12-9/h2-3,6,8,10H,4-5,7H2,1H3.
What are the key properties of 2-methyl-3-(thiophen-2-ylmethylsulfanyl)oxolane?
2-methyl-3-(thiophen-2-ylmethylsulfanyl)oxolane has a molecular weight of 214.35 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(thiophen-2-ylmethylsulfanyl)oxolane is sourced from PubChem (CID 127000169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).