2,5-bis(2-iodopropan-2-yl)-3-methylthiophene

C11H16I2S — CID 146366673

IUPAC2,5-bis(2-iodopropan-2-yl)-3-methylthiophene
SMILESCc1cc(C(C)(C)I)sc1C(C)(C)I
InChIInChI=1S/C11H16I2S/c1-7-6-8(10(2,3)12)14-9(7)11(4,5)13/h6H,1-5H3
InChIKeyHVHWMHJQNVVIAV-UHFFFAOYSA-N
MW434.12 g/mol
LogP5.40
Rot. Bonds2

About 2,5-bis(2-iodopropan-2-yl)-3-methylthiophene

2,5-bis(2-iodopropan-2-yl)-3-methylthiophene (PubChem CID 146366673) has the molecular formula C11H16I2S and a molecular weight of 434.12 g/mol. Its IUPAC name is 2,5-bis(2-iodopropan-2-yl)-3-methylthiophene.

Molecular Properties

Compound Name2,5-bis(2-iodopropan-2-yl)-3-methylthiophene
PubChem CID146366673
Molecular FormulaC11H16I2S
Molecular Weight434.12 g/mol
Exact Mass433.91
IUPAC Name2,5-bis(2-iodopropan-2-yl)-3-methylthiophene
SMILESCc1cc(C(C)(C)I)sc1C(C)(C)I
InChIInChI=1S/C11H16I2S/c1-7-6-8(10(2,3)12)14-9(7)11(4,5)13/h6H,1-5H3
InChIKeyHVHWMHJQNVVIAV-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.12
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-iodopropan-2-yl)-3-methylthiophene?
The IUPAC name of 2,5-bis(2-iodopropan-2-yl)-3-methylthiophene (CID 146366673) is 2,5-bis(2-iodopropan-2-yl)-3-methylthiophene.
What is the SMILES notation for 2,5-bis(2-iodopropan-2-yl)-3-methylthiophene?
The canonical SMILES for 2,5-bis(2-iodopropan-2-yl)-3-methylthiophene is Cc1cc(C(C)(C)I)sc1C(C)(C)I.
What is the InChIKey of 2,5-bis(2-iodopropan-2-yl)-3-methylthiophene?
The InChIKey is HVHWMHJQNVVIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16I2S/c1-7-6-8(10(2,3)12)14-9(7)11(4,5)13/h6H,1-5H3.
What are the key properties of 2,5-bis(2-iodopropan-2-yl)-3-methylthiophene?
2,5-bis(2-iodopropan-2-yl)-3-methylthiophene has a molecular weight of 434.12 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-iodopropan-2-yl)-3-methylthiophene is sourced from PubChem (CID 146366673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).