2-tert-butyl-5-iodo-3,4-dimethyl-2,3-dihydrothiophene

C10H17IS — CID 174165764

IUPAC2-tert-butyl-5-iodo-3,4-dimethyl-2,3-dihydrothiophene
SMILESCC1=C(I)SC(C(C)(C)C)C1C
InChIInChI=1S/C10H17IS/c1-6-7(2)9(11)12-8(6)10(3,4)5/h6,8H,1-5H3
InChIKeyYONLFNKNKDEBRH-UHFFFAOYSA-N
MW296.22 g/mol
LogP4.45
Rot. Bonds

About 2-tert-butyl-5-iodo-3,4-dimethyl-2,3-dihydrothiophene

2-tert-butyl-5-iodo-3,4-dimethyl-2,3-dihydrothiophene (PubChem CID 174165764) has the molecular formula C10H17IS and a molecular weight of 296.22 g/mol. Its IUPAC name is 2-tert-butyl-5-iodo-3,4-dimethyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name2-tert-butyl-5-iodo-3,4-dimethyl-2,3-dihydrothiophene
PubChem CID174165764
Molecular FormulaC10H17IS
Molecular Weight296.22 g/mol
Exact Mass296.01
IUPAC Name2-tert-butyl-5-iodo-3,4-dimethyl-2,3-dihydrothiophene
SMILESCC1=C(I)SC(C(C)(C)C)C1C
InChIInChI=1S/C10H17IS/c1-6-7(2)9(11)12-8(6)10(3,4)5/h6,8H,1-5H3
InChIKeyYONLFNKNKDEBRH-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.22
LogP ≤ 54.45
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 2-tert-butyl-5-iodo-3,4-dimethyl-2,3-dihydrothiophene?
The IUPAC name of 2-tert-butyl-5-iodo-3,4-dimethyl-2,3-dihydrothiophene (CID 174165764) is 2-tert-butyl-5-iodo-3,4-dimethyl-2,3-dihydrothiophene.
What is the SMILES notation for 2-tert-butyl-5-iodo-3,4-dimethyl-2,3-dihydrothiophene?
The canonical SMILES for 2-tert-butyl-5-iodo-3,4-dimethyl-2,3-dihydrothiophene is CC1=C(I)SC(C(C)(C)C)C1C.
What is the InChIKey of 2-tert-butyl-5-iodo-3,4-dimethyl-2,3-dihydrothiophene?
The InChIKey is YONLFNKNKDEBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17IS/c1-6-7(2)9(11)12-8(6)10(3,4)5/h6,8H,1-5H3.
What are the key properties of 2-tert-butyl-5-iodo-3,4-dimethyl-2,3-dihydrothiophene?
2-tert-butyl-5-iodo-3,4-dimethyl-2,3-dihydrothiophene has a molecular weight of 296.22 g/mol, XLogP of 4.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-iodo-3,4-dimethyl-2,3-dihydrothiophene is sourced from PubChem (CID 174165764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).