5-ethyl-2,3-bis(ethylsulfonyl)thiophene

C10H16O4S3 — CID 778802

IUPAC5-ethyl-2,3-bis(ethylsulfonyl)thiophene
SMILESCCc1cc(S(=O)(=O)CC)c(S(=O)(=O)CC)s1
InChIInChI=1S/C10H16O4S3/c1-4-8-7-9(16(11,12)5-2)10(15-8)17(13,14)6-3/h7H,4-6H2,1-3H3
InChIKeyQVAKUBNKBLRXPB-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.90
Rot. Bonds5

About 5-ethyl-2,3-bis(ethylsulfonyl)thiophene

5-ethyl-2,3-bis(ethylsulfonyl)thiophene (PubChem CID 778802) has the molecular formula C10H16O4S3 and a molecular weight of 296.44 g/mol. Its IUPAC name is 5-ethyl-2,3-bis(ethylsulfonyl)thiophene.

Molecular Properties

Compound Name5-ethyl-2,3-bis(ethylsulfonyl)thiophene
PubChem CID778802
Molecular FormulaC10H16O4S3
Molecular Weight296.44 g/mol
Exact Mass296.02
IUPAC Name5-ethyl-2,3-bis(ethylsulfonyl)thiophene
SMILESCCc1cc(S(=O)(=O)CC)c(S(=O)(=O)CC)s1
InChIInChI=1S/C10H16O4S3/c1-4-8-7-9(16(11,12)5-2)10(15-8)17(13,14)6-3/h7H,4-6H2,1-3H3
InChIKeyQVAKUBNKBLRXPB-UHFFFAOYSA-N
XLogP1.90
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,3-bis(ethylsulfonyl)thiophene?
The IUPAC name of 5-ethyl-2,3-bis(ethylsulfonyl)thiophene (CID 778802) is 5-ethyl-2,3-bis(ethylsulfonyl)thiophene.
What is the SMILES notation for 5-ethyl-2,3-bis(ethylsulfonyl)thiophene?
The canonical SMILES for 5-ethyl-2,3-bis(ethylsulfonyl)thiophene is CCc1cc(S(=O)(=O)CC)c(S(=O)(=O)CC)s1.
What is the InChIKey of 5-ethyl-2,3-bis(ethylsulfonyl)thiophene?
The InChIKey is QVAKUBNKBLRXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4S3/c1-4-8-7-9(16(11,12)5-2)10(15-8)17(13,14)6-3/h7H,4-6H2,1-3H3.
What are the key properties of 5-ethyl-2,3-bis(ethylsulfonyl)thiophene?
5-ethyl-2,3-bis(ethylsulfonyl)thiophene has a molecular weight of 296.44 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,3-bis(ethylsulfonyl)thiophene is sourced from PubChem (CID 778802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).