2-methyl-3-[(5-methyl-2,3-dihydrofuran-3-yl)sulfanyl]oxolane-3-thiol

C10H16O2S2 — CID 3015971

IUPAC2-methyl-3-[(5-methyl-2,3-dihydrofuran-3-yl)sulfanyl]oxolane-3-thiol
SMILESCC1=CC(SC2(S)CCOC2C)CO1
InChIInChI=1S/C10H16O2S2/c1-7-5-9(6-12-7)14-10(13)3-4-11-8(10)2/h5,8-9,13H,3-4,6H2,1-2H3
InChIKeyLNXJPLRQQUPVQW-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.46
Rot. Bonds2

About 2-methyl-3-[(5-methyl-2,3-dihydrofuran-3-yl)sulfanyl]oxolane-3-thiol

2-methyl-3-[(5-methyl-2,3-dihydrofuran-3-yl)sulfanyl]oxolane-3-thiol (PubChem CID 3015971) has the molecular formula C10H16O2S2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-methyl-3-[(5-methyl-2,3-dihydrofuran-3-yl)sulfanyl]oxolane-3-thiol.

Molecular Properties

Compound Name2-methyl-3-[(5-methyl-2,3-dihydrofuran-3-yl)sulfanyl]oxolane-3-thiol
PubChem CID3015971
Molecular FormulaC10H16O2S2
Molecular Weight232.37 g/mol
Exact Mass232.06
IUPAC Name2-methyl-3-[(5-methyl-2,3-dihydrofuran-3-yl)sulfanyl]oxolane-3-thiol
SMILESCC1=CC(SC2(S)CCOC2C)CO1
InChIInChI=1S/C10H16O2S2/c1-7-5-9(6-12-7)14-10(13)3-4-11-8(10)2/h5,8-9,13H,3-4,6H2,1-2H3
InChIKeyLNXJPLRQQUPVQW-UHFFFAOYSA-N
XLogP2.46
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(5-methyl-2,3-dihydrofuran-3-yl)sulfanyl]oxolane-3-thiol?
The IUPAC name of 2-methyl-3-[(5-methyl-2,3-dihydrofuran-3-yl)sulfanyl]oxolane-3-thiol (CID 3015971) is 2-methyl-3-[(5-methyl-2,3-dihydrofuran-3-yl)sulfanyl]oxolane-3-thiol.
What is the SMILES notation for 2-methyl-3-[(5-methyl-2,3-dihydrofuran-3-yl)sulfanyl]oxolane-3-thiol?
The canonical SMILES for 2-methyl-3-[(5-methyl-2,3-dihydrofuran-3-yl)sulfanyl]oxolane-3-thiol is CC1=CC(SC2(S)CCOC2C)CO1.
What is the InChIKey of 2-methyl-3-[(5-methyl-2,3-dihydrofuran-3-yl)sulfanyl]oxolane-3-thiol?
The InChIKey is LNXJPLRQQUPVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S2/c1-7-5-9(6-12-7)14-10(13)3-4-11-8(10)2/h5,8-9,13H,3-4,6H2,1-2H3.
What are the key properties of 2-methyl-3-[(5-methyl-2,3-dihydrofuran-3-yl)sulfanyl]oxolane-3-thiol?
2-methyl-3-[(5-methyl-2,3-dihydrofuran-3-yl)sulfanyl]oxolane-3-thiol has a molecular weight of 232.37 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(5-methyl-2,3-dihydrofuran-3-yl)sulfanyl]oxolane-3-thiol is sourced from PubChem (CID 3015971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).