ethane;4-ethyl-2-methylthiophene

C11H22S — CID 143587755

IUPACethane;4-ethyl-2-methylthiophene
SMILESCC.CC.CCc1csc(C)c1
InChIInChI=1S/C7H10S.2C2H6/c1-3-7-4-6(2)8-5-7;2*1-2/h4-5H,3H2,1-2H3;2*1-2H3
InChIKeyCVHXEXBVZKSJEZ-UHFFFAOYSA-N
MW186.36 g/mol
LogP4.67
Rot. Bonds1

About ethane;4-ethyl-2-methylthiophene

ethane;4-ethyl-2-methylthiophene (PubChem CID 143587755) has the molecular formula C11H22S and a molecular weight of 186.36 g/mol. Its IUPAC name is ethane;4-ethyl-2-methylthiophene.

Molecular Properties

Compound Nameethane;4-ethyl-2-methylthiophene
PubChem CID143587755
Molecular FormulaC11H22S
Molecular Weight186.36 g/mol
Exact Mass186.14
IUPAC Nameethane;4-ethyl-2-methylthiophene
SMILESCC.CC.CCc1csc(C)c1
InChIInChI=1S/C7H10S.2C2H6/c1-3-7-4-6(2)8-5-7;2*1-2/h4-5H,3H2,1-2H3;2*1-2H3
InChIKeyCVHXEXBVZKSJEZ-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.36
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Pentylthiophene
CID 20995
2-Ethylthiophene
CID 13388
2-Hexylthiophene
CID 87793
2-Butylthiophene
CID 73818
2-Octylthiophene
CID 70153
2,4-Dimethylthiophene
CID 34296
2-Propylthiophene
CID 73771
2,3-Dimethylthiophene
CID 34295
3-Ethylthiophene
CID 74530
3-Phenylthiophene
CID 75473
2-Phenylthiophene
CID 69999
3-Butylthiophene
CID 566339

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-2-methylthiophene?
The IUPAC name of ethane;4-ethyl-2-methylthiophene (CID 143587755) is ethane;4-ethyl-2-methylthiophene.
What is the SMILES notation for ethane;4-ethyl-2-methylthiophene?
The canonical SMILES for ethane;4-ethyl-2-methylthiophene is CC.CC.CCc1csc(C)c1.
What is the InChIKey of ethane;4-ethyl-2-methylthiophene?
The InChIKey is CVHXEXBVZKSJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10S.2C2H6/c1-3-7-4-6(2)8-5-7;2*1-2/h4-5H,3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;4-ethyl-2-methylthiophene?
ethane;4-ethyl-2-methylthiophene has a molecular weight of 186.36 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-2-methylthiophene is sourced from PubChem (CID 143587755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).