2,5-bis(tert-butylsulfonyl)thiophene

C12H20O4S3 — CID 726435

IUPAC2,5-bis(tert-butylsulfonyl)thiophene
SMILESCC(C)(C)S(=O)(=O)c1ccc(S(=O)(=O)C(C)(C)C)s1
InChIInChI=1S/C12H20O4S3/c1-11(2,3)18(13,14)9-7-8-10(17-9)19(15,16)12(4,5)6/h7-8H,1-6H3
InChIKeyZBTFDTXUZXPFKC-UHFFFAOYSA-N
MW324.49 g/mol
LogP2.89
Rot. Bonds2

About 2,5-bis(tert-butylsulfonyl)thiophene

2,5-bis(tert-butylsulfonyl)thiophene (PubChem CID 726435) has the molecular formula C12H20O4S3 and a molecular weight of 324.49 g/mol. Its IUPAC name is 2,5-bis(tert-butylsulfonyl)thiophene.

Molecular Properties

Compound Name2,5-bis(tert-butylsulfonyl)thiophene
PubChem CID726435
Molecular FormulaC12H20O4S3
Molecular Weight324.49 g/mol
Exact Mass324.05
IUPAC Name2,5-bis(tert-butylsulfonyl)thiophene
SMILESCC(C)(C)S(=O)(=O)c1ccc(S(=O)(=O)C(C)(C)C)s1
InChIInChI=1S/C12H20O4S3/c1-11(2,3)18(13,14)9-7-8-10(17-9)19(15,16)12(4,5)6/h7-8H,1-6H3
InChIKeyZBTFDTXUZXPFKC-UHFFFAOYSA-N
XLogP2.89
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,5-bis(tert-butylsulfonyl)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 2,5-bis(tert-butylsulfonyl)thiophene?
The IUPAC name of 2,5-bis(tert-butylsulfonyl)thiophene (CID 726435) is 2,5-bis(tert-butylsulfonyl)thiophene.
What is the SMILES notation for 2,5-bis(tert-butylsulfonyl)thiophene?
The canonical SMILES for 2,5-bis(tert-butylsulfonyl)thiophene is CC(C)(C)S(=O)(=O)c1ccc(S(=O)(=O)C(C)(C)C)s1.
What is the InChIKey of 2,5-bis(tert-butylsulfonyl)thiophene?
The InChIKey is ZBTFDTXUZXPFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4S3/c1-11(2,3)18(13,14)9-7-8-10(17-9)19(15,16)12(4,5)6/h7-8H,1-6H3.
What are the key properties of 2,5-bis(tert-butylsulfonyl)thiophene?
2,5-bis(tert-butylsulfonyl)thiophene has a molecular weight of 324.49 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(tert-butylsulfonyl)thiophene is sourced from PubChem (CID 726435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).