ethane;3-ethyl-2-propan-2-ylthiophene

C11H20S — CID 153374658

IUPACethane;3-ethyl-2-propan-2-ylthiophene
SMILESCC.CCc1ccsc1C(C)C
InChIInChI=1S/C9H14S.C2H6/c1-4-8-5-6-10-9(8)7(2)3;1-2/h5-7H,4H2,1-3H3;1-2H3
InChIKeyYKPFYBWRZGQWMI-UHFFFAOYSA-N
MW184.35 g/mol
LogP4.46
Rot. Bonds2

About ethane;3-ethyl-2-propan-2-ylthiophene

ethane;3-ethyl-2-propan-2-ylthiophene (PubChem CID 153374658) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is ethane;3-ethyl-2-propan-2-ylthiophene.

Molecular Properties

Compound Nameethane;3-ethyl-2-propan-2-ylthiophene
PubChem CID153374658
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Nameethane;3-ethyl-2-propan-2-ylthiophene
SMILESCC.CCc1ccsc1C(C)C
InChIInChI=1S/C9H14S.C2H6/c1-4-8-5-6-10-9(8)7(2)3;1-2/h5-7H,4H2,1-3H3;1-2H3
InChIKeyYKPFYBWRZGQWMI-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(dichloromethyl)-3-ethylthiophene
CID 14685355
3-(2-methylpropyl)-2-propan-2-ylthiophene
CID 58885365
1-(3-ethylthiophen-2-yl)-3-methylpentan-1-ol
CID 115789383
1-(3-ethylthiophen-2-yl)-N,3-dimethylbutan-1-amine
CID 115782273
N-ethyl-1-(3-ethylthiophen-2-yl)propan-1-amine
CID 114979794
1-(3-ethylthiophen-2-yl)prop-2-yn-1-amine
CID 104995454
(1S)-3-amino-1-(3-ethylthiophen-2-yl)propan-1-ol
CID 96854417
2-[bromo(thiophen-2-yl)methyl]-3-ethylthiophene
CID 79975387
2-cyclopropyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 104986347
2-ethyl-1-(3-ethylthiophen-2-yl)-N-methylbutan-1-amine
CID 105013834
[1-(3-ethylthiophen-2-yl)-2-methylpentyl]hydrazine
CID 107895882
N-ethyl-1-(3-ethylthiophen-2-yl)-2-methylpentan-1-amine
CID 107893684

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-2-propan-2-ylthiophene?
The IUPAC name of ethane;3-ethyl-2-propan-2-ylthiophene (CID 153374658) is ethane;3-ethyl-2-propan-2-ylthiophene.
What is the SMILES notation for ethane;3-ethyl-2-propan-2-ylthiophene?
The canonical SMILES for ethane;3-ethyl-2-propan-2-ylthiophene is CC.CCc1ccsc1C(C)C.
What is the InChIKey of ethane;3-ethyl-2-propan-2-ylthiophene?
The InChIKey is YKPFYBWRZGQWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S.C2H6/c1-4-8-5-6-10-9(8)7(2)3;1-2/h5-7H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;3-ethyl-2-propan-2-ylthiophene?
ethane;3-ethyl-2-propan-2-ylthiophene has a molecular weight of 184.35 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-2-propan-2-ylthiophene is sourced from PubChem (CID 153374658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).