2,5-dimethyl-2,3-dihydrofuran-3-thiol

C6H10OS — CID 22472236

IUPAC2,5-dimethyl-2,3-dihydrofuran-3-thiol
SMILESCC1=CC(S)C(C)O1
InChIInChI=1S/C6H10OS/c1-4-3-6(8)5(2)7-4/h3,5-6,8H,1-2H3
InChIKeyHUJUNODYULVKGU-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.61
Rot. Bonds

About 2,5-dimethyl-2,3-dihydrofuran-3-thiol

2,5-dimethyl-2,3-dihydrofuran-3-thiol (PubChem CID 22472236) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 2,5-dimethyl-2,3-dihydrofuran-3-thiol.

Molecular Properties

Compound Name2,5-dimethyl-2,3-dihydrofuran-3-thiol
PubChem CID22472236
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name2,5-dimethyl-2,3-dihydrofuran-3-thiol
SMILESCC1=CC(S)C(C)O1
InChIInChI=1S/C6H10OS/c1-4-3-6(8)5(2)7-4/h3,5-6,8H,1-2H3
InChIKeyHUJUNODYULVKGU-UHFFFAOYSA-N
XLogP1.61
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2,3-dihydrofuran-3-thiol?
The IUPAC name of 2,5-dimethyl-2,3-dihydrofuran-3-thiol (CID 22472236) is 2,5-dimethyl-2,3-dihydrofuran-3-thiol.
What is the SMILES notation for 2,5-dimethyl-2,3-dihydrofuran-3-thiol?
The canonical SMILES for 2,5-dimethyl-2,3-dihydrofuran-3-thiol is CC1=CC(S)C(C)O1.
What is the InChIKey of 2,5-dimethyl-2,3-dihydrofuran-3-thiol?
The InChIKey is HUJUNODYULVKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-4-3-6(8)5(2)7-4/h3,5-6,8H,1-2H3.
What are the key properties of 2,5-dimethyl-2,3-dihydrofuran-3-thiol?
2,5-dimethyl-2,3-dihydrofuran-3-thiol has a molecular weight of 130.21 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2,3-dihydrofuran-3-thiol is sourced from PubChem (CID 22472236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).