3,4-dimethyl-2,5-dihydrothiophene-2,5-diol

C6H10O2S — CID 174422646

IUPAC3,4-dimethyl-2,5-dihydrothiophene-2,5-diol
SMILESCC1=C(C)C(O)SC1O
InChIInChI=1S/C6H10O2S/c1-3-4(2)6(8)9-5(3)7/h5-8H,1-2H3
InChIKeyPYCGWAJPRZNBAA-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.71
Rot. Bonds

About 3,4-dimethyl-2,5-dihydrothiophene-2,5-diol

3,4-dimethyl-2,5-dihydrothiophene-2,5-diol (PubChem CID 174422646) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is 3,4-dimethyl-2,5-dihydrothiophene-2,5-diol.

Molecular Properties

Compound Name3,4-dimethyl-2,5-dihydrothiophene-2,5-diol
PubChem CID174422646
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name3,4-dimethyl-2,5-dihydrothiophene-2,5-diol
SMILESCC1=C(C)C(O)SC1O
InChIInChI=1S/C6H10O2S/c1-3-4(2)6(8)9-5(3)7/h5-8H,1-2H3
InChIKeyPYCGWAJPRZNBAA-UHFFFAOYSA-N
XLogP0.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2,5-dihydrothiophene-2,5-diol?
The IUPAC name of 3,4-dimethyl-2,5-dihydrothiophene-2,5-diol (CID 174422646) is 3,4-dimethyl-2,5-dihydrothiophene-2,5-diol.
What is the SMILES notation for 3,4-dimethyl-2,5-dihydrothiophene-2,5-diol?
The canonical SMILES for 3,4-dimethyl-2,5-dihydrothiophene-2,5-diol is CC1=C(C)C(O)SC1O.
What is the InChIKey of 3,4-dimethyl-2,5-dihydrothiophene-2,5-diol?
The InChIKey is PYCGWAJPRZNBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c1-3-4(2)6(8)9-5(3)7/h5-8H,1-2H3.
What are the key properties of 3,4-dimethyl-2,5-dihydrothiophene-2,5-diol?
3,4-dimethyl-2,5-dihydrothiophene-2,5-diol has a molecular weight of 146.21 g/mol, XLogP of 0.71, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2,5-dihydrothiophene-2,5-diol is sourced from PubChem (CID 174422646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).