(2S)-2-methyl-4,4-dithiophen-2-yloxolane

C13H14OS2 — CID 155934701

IUPAC(2S)-2-methyl-4,4-dithiophen-2-yloxolane
SMILESC[C@H]1CC(c2cccs2)(c2cccs2)CO1
InChIInChI=1S/C13H14OS2/c1-10-8-13(9-14-10,11-4-2-6-15-11)12-5-3-7-16-12/h2-7,10H,8-9H2,1H3/t10-/m0/s1
InChIKeyIDZFBGPBADCGPQ-JTQLQIEISA-N
MW250.39 g/mol
LogP3.90
Rot. Bonds2

About (2S)-2-methyl-4,4-dithiophen-2-yloxolane

(2S)-2-methyl-4,4-dithiophen-2-yloxolane (PubChem CID 155934701) has the molecular formula C13H14OS2 and a molecular weight of 250.39 g/mol. Its IUPAC name is (2S)-2-methyl-4,4-dithiophen-2-yloxolane.

Molecular Properties

Compound Name(2S)-2-methyl-4,4-dithiophen-2-yloxolane
PubChem CID155934701
Molecular FormulaC13H14OS2
Molecular Weight250.39 g/mol
Exact Mass250.05
IUPAC Name(2S)-2-methyl-4,4-dithiophen-2-yloxolane
SMILESC[C@H]1CC(c2cccs2)(c2cccs2)CO1
InChIInChI=1S/C13H14OS2/c1-10-8-13(9-14-10,11-4-2-6-15-11)12-5-3-7-16-12/h2-7,10H,8-9H2,1H3/t10-/m0/s1
InChIKeyIDZFBGPBADCGPQ-JTQLQIEISA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-bicyclo[2.2.2]octanyl)thiophene
CID 140617889
3-methyl-1-thiophen-2-ylcyclopentan-1-ol
CID 64513369
3-thiophen-2-yloxetan-3-amine
CID 83682056
2-methyl-4-(thiophen-2-ylmethyl)oxan-4-ol
CID 65149523
2,3-dibromo-4-[3-(2,3-dibromo-4-hydroxyphenyl)-5-methyloxolan-3-yl]phenol
CID 70426137
(1R,4S,5R)-4-methyl-1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane
CID 44561211
2-methyl-2-thiophen-2-yl-1,4-dioxane
CID 140537757
(2'R)-2'-methylspiro[1,3-dihydroindene-2,4'-oxolane]
CID 166439861
2-methyl-4,4-diphenyloxane
CID 152721447
2-methyl-2-thiophen-2-yl-1,3-dioxole
CID 141238164
dimethyl-(1-thiophen-2-ylcyclopentyl)phosphane
CID 175478695
trans-(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropane-1-carboxylic acid
CID 94252878

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4,4-dithiophen-2-yloxolane?
The IUPAC name of (2S)-2-methyl-4,4-dithiophen-2-yloxolane (CID 155934701) is (2S)-2-methyl-4,4-dithiophen-2-yloxolane.
What is the SMILES notation for (2S)-2-methyl-4,4-dithiophen-2-yloxolane?
The canonical SMILES for (2S)-2-methyl-4,4-dithiophen-2-yloxolane is C[C@H]1CC(c2cccs2)(c2cccs2)CO1.
What is the InChIKey of (2S)-2-methyl-4,4-dithiophen-2-yloxolane?
The InChIKey is IDZFBGPBADCGPQ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H14OS2/c1-10-8-13(9-14-10,11-4-2-6-15-11)12-5-3-7-16-12/h2-7,10H,8-9H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-methyl-4,4-dithiophen-2-yloxolane?
(2S)-2-methyl-4,4-dithiophen-2-yloxolane has a molecular weight of 250.39 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-4,4-dithiophen-2-yloxolane is sourced from PubChem (CID 155934701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).