3-(thiophen-2-ylsulfanylmethyl)oxolane

C9H12OS2 — CID 130622094

IUPAC3-(thiophen-2-ylsulfanylmethyl)oxolane
SMILESc1csc(SCC2CCOC2)c1
InChIInChI=1S/C9H12OS2/c1-2-9(11-5-1)12-7-8-3-4-10-6-8/h1-2,5,8H,3-4,6-7H2
InChIKeyWNPNKSKLDXWVHL-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.88
Rot. Bonds3

About 3-(thiophen-2-ylsulfanylmethyl)oxolane

3-(thiophen-2-ylsulfanylmethyl)oxolane (PubChem CID 130622094) has the molecular formula C9H12OS2 and a molecular weight of 200.33 g/mol. Its IUPAC name is 3-(thiophen-2-ylsulfanylmethyl)oxolane.

Molecular Properties

Compound Name3-(thiophen-2-ylsulfanylmethyl)oxolane
PubChem CID130622094
Molecular FormulaC9H12OS2
Molecular Weight200.33 g/mol
Exact Mass200.03
IUPAC Name3-(thiophen-2-ylsulfanylmethyl)oxolane
SMILESc1csc(SCC2CCOC2)c1
InChIInChI=1S/C9H12OS2/c1-2-9(11-5-1)12-7-8-3-4-10-6-8/h1-2,5,8H,3-4,6-7H2
InChIKeyWNPNKSKLDXWVHL-UHFFFAOYSA-N
XLogP2.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(thiophen-2-ylsulfanylmethyl)cyclohexan-1-ol
CID 126985922
N-methyl-3-thiophen-2-ylsulfanyloxan-4-amine
CID 64614002
N-(dithiophen-2-ylmethyl)-2-(oxolan-3-yl)ethanamine
CID 102672384
N-propyl-3-thiophen-2-ylsulfanyloxan-4-amine
CID 64613802
3-(oxolan-3-ylmethylsulfanyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137195218
1-[3-(oxolan-3-ylmethylsulfanyl)phenyl]ethanone
CID 64661703
2-methyl-N-[2-(oxolan-3-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 104537883
5-(oxolan-3-ylmethylsulfanyl)furan-2-carboxylic acid
CID 63943182
N-methyl-1-(oxolan-3-yl)-4-thiophen-2-ylbutan-2-amine
CID 103986936
N-(oxolan-3-yl)-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide
CID 75431650
2-thiophen-2-ylsulfanylcyclohexan-1-ol
CID 60878226
1-(oxolan-3-ylmethoxy)-1-thiophen-2-ylbutan-2-amine
CID 55021106

Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-2-ylsulfanylmethyl)oxolane?
The IUPAC name of 3-(thiophen-2-ylsulfanylmethyl)oxolane (CID 130622094) is 3-(thiophen-2-ylsulfanylmethyl)oxolane.
What is the SMILES notation for 3-(thiophen-2-ylsulfanylmethyl)oxolane?
The canonical SMILES for 3-(thiophen-2-ylsulfanylmethyl)oxolane is c1csc(SCC2CCOC2)c1.
What is the InChIKey of 3-(thiophen-2-ylsulfanylmethyl)oxolane?
The InChIKey is WNPNKSKLDXWVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OS2/c1-2-9(11-5-1)12-7-8-3-4-10-6-8/h1-2,5,8H,3-4,6-7H2.
What are the key properties of 3-(thiophen-2-ylsulfanylmethyl)oxolane?
3-(thiophen-2-ylsulfanylmethyl)oxolane has a molecular weight of 200.33 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-2-ylsulfanylmethyl)oxolane is sourced from PubChem (CID 130622094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).