5-iodo-2,3,4-trimethyl-2,3-dihydrothiophene

C7H11IS — CID 167073950

IUPAC5-iodo-2,3,4-trimethyl-2,3-dihydrothiophene
SMILESCC1=C(I)SC(C)C1C
InChIInChI=1S/C7H11IS/c1-4-5(2)7(8)9-6(4)3/h4,6H,1-3H3
InChIKeyJONKPRUDLBAYPT-UHFFFAOYSA-N
MW254.14 g/mol
LogP3.42
Rot. Bonds

About 5-iodo-2,3,4-trimethyl-2,3-dihydrothiophene

5-iodo-2,3,4-trimethyl-2,3-dihydrothiophene (PubChem CID 167073950) has the molecular formula C7H11IS and a molecular weight of 254.14 g/mol. Its IUPAC name is 5-iodo-2,3,4-trimethyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name5-iodo-2,3,4-trimethyl-2,3-dihydrothiophene
PubChem CID167073950
Molecular FormulaC7H11IS
Molecular Weight254.14 g/mol
Exact Mass253.96
IUPAC Name5-iodo-2,3,4-trimethyl-2,3-dihydrothiophene
SMILESCC1=C(I)SC(C)C1C
InChIInChI=1S/C7H11IS/c1-4-5(2)7(8)9-6(4)3/h4,6H,1-3H3
InChIKeyJONKPRUDLBAYPT-UHFFFAOYSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.14
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-2,3,4-trimethyl-2,3-dihydrothiophene?
The IUPAC name of 5-iodo-2,3,4-trimethyl-2,3-dihydrothiophene (CID 167073950) is 5-iodo-2,3,4-trimethyl-2,3-dihydrothiophene.
What is the SMILES notation for 5-iodo-2,3,4-trimethyl-2,3-dihydrothiophene?
The canonical SMILES for 5-iodo-2,3,4-trimethyl-2,3-dihydrothiophene is CC1=C(I)SC(C)C1C.
What is the InChIKey of 5-iodo-2,3,4-trimethyl-2,3-dihydrothiophene?
The InChIKey is JONKPRUDLBAYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11IS/c1-4-5(2)7(8)9-6(4)3/h4,6H,1-3H3.
What are the key properties of 5-iodo-2,3,4-trimethyl-2,3-dihydrothiophene?
5-iodo-2,3,4-trimethyl-2,3-dihydrothiophene has a molecular weight of 254.14 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2,3,4-trimethyl-2,3-dihydrothiophene is sourced from PubChem (CID 167073950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).