2-[(4-methylphenyl)methylsulfonyl]thiophene

C12H12O2S2 — CID 569315

IUPAC2-[(4-methylphenyl)methylsulfonyl]thiophene
SMILESCc1ccc(CS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C12H12O2S2/c1-10-4-6-11(7-5-10)9-16(13,14)12-3-2-8-15-12/h2-8H,9H2,1H3
InChIKeyKFVNDBSYTXLZLS-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.03
Rot. Bonds3

About 2-[(4-methylphenyl)methylsulfonyl]thiophene

2-[(4-methylphenyl)methylsulfonyl]thiophene (PubChem CID 569315) has the molecular formula C12H12O2S2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylsulfonyl]thiophene.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylsulfonyl]thiophene
PubChem CID569315
Molecular FormulaC12H12O2S2
Molecular Weight252.36 g/mol
Exact Mass252.03
IUPAC Name2-[(4-methylphenyl)methylsulfonyl]thiophene
SMILESCc1ccc(CS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C12H12O2S2/c1-10-4-6-11(7-5-10)9-16(13,14)12-3-2-8-15-12/h2-8H,9H2,1H3
InChIKeyKFVNDBSYTXLZLS-UHFFFAOYSA-N
XLogP3.03
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylsulfonyl]thiophene?
The IUPAC name of 2-[(4-methylphenyl)methylsulfonyl]thiophene (CID 569315) is 2-[(4-methylphenyl)methylsulfonyl]thiophene.
What is the SMILES notation for 2-[(4-methylphenyl)methylsulfonyl]thiophene?
The canonical SMILES for 2-[(4-methylphenyl)methylsulfonyl]thiophene is Cc1ccc(CS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylsulfonyl]thiophene?
The InChIKey is KFVNDBSYTXLZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2S2/c1-10-4-6-11(7-5-10)9-16(13,14)12-3-2-8-15-12/h2-8H,9H2,1H3.
What are the key properties of 2-[(4-methylphenyl)methylsulfonyl]thiophene?
2-[(4-methylphenyl)methylsulfonyl]thiophene has a molecular weight of 252.36 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylsulfonyl]thiophene is sourced from PubChem (CID 569315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).