2-(3,3-dimethylbutan-2-ylsulfanyl)thiophene

C10H16S2 — CID 123523085

IUPAC2-(3,3-dimethylbutan-2-ylsulfanyl)thiophene
SMILESCC(Sc1cccs1)C(C)(C)C
InChIInChI=1S/C10H16S2/c1-8(10(2,3)4)12-9-6-5-7-11-9/h5-8H,1-4H3
InChIKeyHPJAQUCXUQMGSL-UHFFFAOYSA-N
MW200.37 g/mol
LogP4.27
Rot. Bonds2

About 2-(3,3-dimethylbutan-2-ylsulfanyl)thiophene

2-(3,3-dimethylbutan-2-ylsulfanyl)thiophene (PubChem CID 123523085) has the molecular formula C10H16S2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 2-(3,3-dimethylbutan-2-ylsulfanyl)thiophene.

Molecular Properties

Compound Name2-(3,3-dimethylbutan-2-ylsulfanyl)thiophene
PubChem CID123523085
Molecular FormulaC10H16S2
Molecular Weight200.37 g/mol
Exact Mass200.07
IUPAC Name2-(3,3-dimethylbutan-2-ylsulfanyl)thiophene
SMILESCC(Sc1cccs1)C(C)(C)C
InChIInChI=1S/C10H16S2/c1-8(10(2,3)4)12-9-6-5-7-11-9/h5-8H,1-4H3
InChIKeyHPJAQUCXUQMGSL-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3,3-dimethylbutan-2-ylsulfanyl)thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutan-2-ylsulfanyl)thiophene?
The IUPAC name of 2-(3,3-dimethylbutan-2-ylsulfanyl)thiophene (CID 123523085) is 2-(3,3-dimethylbutan-2-ylsulfanyl)thiophene.
What is the SMILES notation for 2-(3,3-dimethylbutan-2-ylsulfanyl)thiophene?
The canonical SMILES for 2-(3,3-dimethylbutan-2-ylsulfanyl)thiophene is CC(Sc1cccs1)C(C)(C)C.
What is the InChIKey of 2-(3,3-dimethylbutan-2-ylsulfanyl)thiophene?
The InChIKey is HPJAQUCXUQMGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S2/c1-8(10(2,3)4)12-9-6-5-7-11-9/h5-8H,1-4H3.
What are the key properties of 2-(3,3-dimethylbutan-2-ylsulfanyl)thiophene?
2-(3,3-dimethylbutan-2-ylsulfanyl)thiophene has a molecular weight of 200.37 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutan-2-ylsulfanyl)thiophene is sourced from PubChem (CID 123523085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).