2-iodopropan-2-yl(trimethyl)-λ4-sulfane

C6H15IS — CID 139493471

IUPAC2-iodopropan-2-yl(trimethyl)-λ4-sulfane
SMILESCC(C)(I)S(C)(C)C
InChIInChI=1S/C6H15IS/c1-6(2,7)8(3,4)5/h1-5H3
InChIKeyCWYAJUYCMJCJOG-UHFFFAOYSA-N
MW246.16 g/mol
LogP2.85
Rot. Bonds1

About 2-iodopropan-2-yl(trimethyl)-λ4-sulfane

2-iodopropan-2-yl(trimethyl)-λ4-sulfane (PubChem CID 139493471) has the molecular formula C6H15IS and a molecular weight of 246.16 g/mol. Its IUPAC name is 2-iodopropan-2-yl(trimethyl)-λ4-sulfane.

Molecular Properties

Compound Name2-iodopropan-2-yl(trimethyl)-λ4-sulfane
PubChem CID139493471
Molecular FormulaC6H15IS
Molecular Weight246.16 g/mol
Exact Mass245.99
IUPAC Name2-iodopropan-2-yl(trimethyl)-λ4-sulfane
SMILESCC(C)(I)S(C)(C)C
InChIInChI=1S/C6H15IS/c1-6(2,7)8(3,4)5/h1-5H3
InChIKeyCWYAJUYCMJCJOG-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.16
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-iodopropan-2-yl(trimethyl)-λ4-sulfane?
The IUPAC name of 2-iodopropan-2-yl(trimethyl)-λ4-sulfane (CID 139493471) is 2-iodopropan-2-yl(trimethyl)-λ4-sulfane.
What is the SMILES notation for 2-iodopropan-2-yl(trimethyl)-λ4-sulfane?
The canonical SMILES for 2-iodopropan-2-yl(trimethyl)-λ4-sulfane is CC(C)(I)S(C)(C)C.
What is the InChIKey of 2-iodopropan-2-yl(trimethyl)-λ4-sulfane?
The InChIKey is CWYAJUYCMJCJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15IS/c1-6(2,7)8(3,4)5/h1-5H3.
What are the key properties of 2-iodopropan-2-yl(trimethyl)-λ4-sulfane?
2-iodopropan-2-yl(trimethyl)-λ4-sulfane has a molecular weight of 246.16 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodopropan-2-yl(trimethyl)-λ4-sulfane is sourced from PubChem (CID 139493471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).