(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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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).