2-(ethylsulfonylmethyl)thiophene

C7H10O2S2 — CID 804405

IUPAC2-(ethylsulfonylmethyl)thiophene
SMILESCCS(=O)(=O)Cc1cccs1
InChIInChI=1S/C7H10O2S2/c1-2-11(8,9)6-7-4-3-5-10-7/h3-5H,2,6H2,1H3
InChIKeyVVFVERYIRVEFMF-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.68
Rot. Bonds3

About 2-(ethylsulfonylmethyl)thiophene

2-(ethylsulfonylmethyl)thiophene (PubChem CID 804405) has the molecular formula C7H10O2S2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-(ethylsulfonylmethyl)thiophene.

Molecular Properties

Compound Name2-(ethylsulfonylmethyl)thiophene
PubChem CID804405
Molecular FormulaC7H10O2S2
Molecular Weight190.29 g/mol
Exact Mass190.01
IUPAC Name2-(ethylsulfonylmethyl)thiophene
SMILESCCS(=O)(=O)Cc1cccs1
InChIInChI=1S/C7H10O2S2/c1-2-11(8,9)6-7-4-3-5-10-7/h3-5H,2,6H2,1H3
InChIKeyVVFVERYIRVEFMF-UHFFFAOYSA-N
XLogP1.68
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methylthiophene
CID 11126
Thenyl mercaptan
CID 80408
2-Ethylthiophene
CID 13388
3-Mercapto-2-methylthiophene
CID 75664
2-Propylthiophene
CID 73771
2-Vinylthiophene
CID 519642
1-(2-Thienyl)ethanethiol
CID 2724626
2-(Phenylsulfonyl)thiophene
CID 284324
3-(Phenylsulfonyl)thiophene
CID 519297
2,4-Thiophenedisulfonamide, 5-methyl-
CID 600438
Nsc2734
CID 220260
5-Ethylthiophene-2-sulfonyl chloride
CID 12216231

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylmethyl)thiophene?
The IUPAC name of 2-(ethylsulfonylmethyl)thiophene (CID 804405) is 2-(ethylsulfonylmethyl)thiophene.
What is the SMILES notation for 2-(ethylsulfonylmethyl)thiophene?
The canonical SMILES for 2-(ethylsulfonylmethyl)thiophene is CCS(=O)(=O)Cc1cccs1.
What is the InChIKey of 2-(ethylsulfonylmethyl)thiophene?
The InChIKey is VVFVERYIRVEFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2S2/c1-2-11(8,9)6-7-4-3-5-10-7/h3-5H,2,6H2,1H3.
What are the key properties of 2-(ethylsulfonylmethyl)thiophene?
2-(ethylsulfonylmethyl)thiophene has a molecular weight of 190.29 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylmethyl)thiophene is sourced from PubChem (CID 804405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).