2-tert-butylsulfonylthiophene

C8H12O2S2 — CID 778811

IUPAC2-tert-butylsulfonylthiophene
SMILESCC(C)(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C8H12O2S2/c1-8(2,3)12(9,10)7-5-4-6-11-7/h4-6H,1-3H3
InChIKeyUDIWKIPTKVSYFD-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.32
Rot. Bonds1

About 2-tert-butylsulfonylthiophene

2-tert-butylsulfonylthiophene (PubChem CID 778811) has the molecular formula C8H12O2S2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-tert-butylsulfonylthiophene.

Molecular Properties

Compound Name2-tert-butylsulfonylthiophene
PubChem CID778811
Molecular FormulaC8H12O2S2
Molecular Weight204.32 g/mol
Exact Mass204.03
IUPAC Name2-tert-butylsulfonylthiophene
SMILESCC(C)(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C8H12O2S2/c1-8(2,3)12(9,10)7-5-4-6-11-7/h4-6H,1-3H3
InChIKeyUDIWKIPTKVSYFD-UHFFFAOYSA-N
XLogP2.32
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfonylthiophene?
The IUPAC name of 2-tert-butylsulfonylthiophene (CID 778811) is 2-tert-butylsulfonylthiophene.
What is the SMILES notation for 2-tert-butylsulfonylthiophene?
The canonical SMILES for 2-tert-butylsulfonylthiophene is CC(C)(C)S(=O)(=O)c1cccs1.
What is the InChIKey of 2-tert-butylsulfonylthiophene?
The InChIKey is UDIWKIPTKVSYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2S2/c1-8(2,3)12(9,10)7-5-4-6-11-7/h4-6H,1-3H3.
What are the key properties of 2-tert-butylsulfonylthiophene?
2-tert-butylsulfonylthiophene has a molecular weight of 204.32 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfonylthiophene is sourced from PubChem (CID 778811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).