3-butyl-2,5-dimethylthiophene 1,1-dioxide

C10H16O2S — CID 10465406

IUPAC3-butyl-2,5-dimethylthiophene 1,1-dioxide
SMILESCCCCC1=C(C)S(=O)(=O)C(C)=C1
InChIInChI=1S/C10H16O2S/c1-4-5-6-10-7-8(2)13(11,12)9(10)3/h7H,4-6H2,1-3H3
InChIKeyBZIRAGMWKMXZKM-UHFFFAOYSA-N
MW200.30 g/mol
LogP2.78
Rot. Bonds3

About 3-butyl-2,5-dimethylthiophene 1,1-dioxide

3-butyl-2,5-dimethylthiophene 1,1-dioxide (PubChem CID 10465406) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is 3-butyl-2,5-dimethylthiophene 1,1-dioxide.

Molecular Properties

Compound Name3-butyl-2,5-dimethylthiophene 1,1-dioxide
PubChem CID10465406
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Name3-butyl-2,5-dimethylthiophene 1,1-dioxide
SMILESCCCCC1=C(C)S(=O)(=O)C(C)=C1
InChIInChI=1S/C10H16O2S/c1-4-5-6-10-7-8(2)13(11,12)9(10)3/h7H,4-6H2,1-3H3
InChIKeyBZIRAGMWKMXZKM-UHFFFAOYSA-N
XLogP2.78
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1,2,3,4-tetrabutylbenzene
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1,3,5-tributyl-2,4,6-triethylbenzene
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CID 54311592
1-butyl-5-ethyl-2,4-dimethylbenzene
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1,2,5-tributyl-3-[2-(2,3,5-tributylphenyl)ethyl]benzene
CID 101311557
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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2,5-dimethylthiophene 1,1-dioxide?
The IUPAC name of 3-butyl-2,5-dimethylthiophene 1,1-dioxide (CID 10465406) is 3-butyl-2,5-dimethylthiophene 1,1-dioxide.
What is the SMILES notation for 3-butyl-2,5-dimethylthiophene 1,1-dioxide?
The canonical SMILES for 3-butyl-2,5-dimethylthiophene 1,1-dioxide is CCCCC1=C(C)S(=O)(=O)C(C)=C1.
What is the InChIKey of 3-butyl-2,5-dimethylthiophene 1,1-dioxide?
The InChIKey is BZIRAGMWKMXZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S/c1-4-5-6-10-7-8(2)13(11,12)9(10)3/h7H,4-6H2,1-3H3.
What are the key properties of 3-butyl-2,5-dimethylthiophene 1,1-dioxide?
3-butyl-2,5-dimethylthiophene 1,1-dioxide has a molecular weight of 200.30 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2,5-dimethylthiophene 1,1-dioxide is sourced from PubChem (CID 10465406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).