5-iodo-4-methyl-2-propan-2-yl-2,3-dihydrothiophene

C8H13IS — CID 167073572

IUPAC5-iodo-4-methyl-2-propan-2-yl-2,3-dihydrothiophene
SMILESCC1=C(I)SC(C(C)C)C1
InChIInChI=1S/C8H13IS/c1-5(2)7-4-6(3)8(9)10-7/h5,7H,4H2,1-3H3
InChIKeyLDJRXCLJRSCRLC-UHFFFAOYSA-N
MW268.16 g/mol
LogP3.81
Rot. Bonds1

About 5-iodo-4-methyl-2-propan-2-yl-2,3-dihydrothiophene

5-iodo-4-methyl-2-propan-2-yl-2,3-dihydrothiophene (PubChem CID 167073572) has the molecular formula C8H13IS and a molecular weight of 268.16 g/mol. Its IUPAC name is 5-iodo-4-methyl-2-propan-2-yl-2,3-dihydrothiophene.

Molecular Properties

Compound Name5-iodo-4-methyl-2-propan-2-yl-2,3-dihydrothiophene
PubChem CID167073572
Molecular FormulaC8H13IS
Molecular Weight268.16 g/mol
Exact Mass267.98
IUPAC Name5-iodo-4-methyl-2-propan-2-yl-2,3-dihydrothiophene
SMILESCC1=C(I)SC(C(C)C)C1
InChIInChI=1S/C8H13IS/c1-5(2)7-4-6(3)8(9)10-7/h5,7H,4H2,1-3H3
InChIKeyLDJRXCLJRSCRLC-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 53.81
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-4-methyl-2-propan-2-yl-2,3-dihydrothiophene?
The IUPAC name of 5-iodo-4-methyl-2-propan-2-yl-2,3-dihydrothiophene (CID 167073572) is 5-iodo-4-methyl-2-propan-2-yl-2,3-dihydrothiophene.
What is the SMILES notation for 5-iodo-4-methyl-2-propan-2-yl-2,3-dihydrothiophene?
The canonical SMILES for 5-iodo-4-methyl-2-propan-2-yl-2,3-dihydrothiophene is CC1=C(I)SC(C(C)C)C1.
What is the InChIKey of 5-iodo-4-methyl-2-propan-2-yl-2,3-dihydrothiophene?
The InChIKey is LDJRXCLJRSCRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13IS/c1-5(2)7-4-6(3)8(9)10-7/h5,7H,4H2,1-3H3.
What are the key properties of 5-iodo-4-methyl-2-propan-2-yl-2,3-dihydrothiophene?
5-iodo-4-methyl-2-propan-2-yl-2,3-dihydrothiophene has a molecular weight of 268.16 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-methyl-2-propan-2-yl-2,3-dihydrothiophene is sourced from PubChem (CID 167073572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).