3-(3,3-dimethylbutan-2-yl)thiophene;ethane

C12H22S — CID 143105363

IUPAC3-(3,3-dimethylbutan-2-yl)thiophene;ethane
SMILESCC.CC(c1ccsc1)C(C)(C)C
InChIInChI=1S/C10H16S.C2H6/c1-8(10(2,3)4)9-5-6-11-7-9;1-2/h5-8H,1-4H3;1-2H3
InChIKeyHIDXSDAKBWFTOS-UHFFFAOYSA-N
MW198.38 g/mol
LogP4.92
Rot. Bonds1

About 3-(3,3-dimethylbutan-2-yl)thiophene;ethane

3-(3,3-dimethylbutan-2-yl)thiophene;ethane (PubChem CID 143105363) has the molecular formula C12H22S and a molecular weight of 198.38 g/mol. Its IUPAC name is 3-(3,3-dimethylbutan-2-yl)thiophene;ethane.

Molecular Properties

Compound Name3-(3,3-dimethylbutan-2-yl)thiophene;ethane
PubChem CID143105363
Molecular FormulaC12H22S
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name3-(3,3-dimethylbutan-2-yl)thiophene;ethane
SMILESCC.CC(c1ccsc1)C(C)(C)C
InChIInChI=1S/C10H16S.C2H6/c1-8(10(2,3)4)9-5-6-11-7-9;1-2/h5-8H,1-4H3;1-2H3
InChIKeyHIDXSDAKBWFTOS-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1,1,1-trifluoropropan-2-yl)thiophene
CID 83381744
3-(3-ethyl-3-methylpentan-2-yl)thiophene
CID 139314791
N,2,2-trimethyl-1-thiophen-3-ylpropan-1-amine
CID 62395733
(1S)-1-thiophen-3-ylethanol
CID 11297979
1-thiophen-3-ylethanol
CID 12744375
methanidyl(1-thiophen-3-ylethyl)azanium
CID 59297819
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
2,2-dimethyl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62090002
(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912
2-methyl-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 60819374
3-methyl-N-(1-thiophen-3-ylethyl)pentan-3-amine
CID 115920356
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-thiophen-3-ylethanamine
CID 112568339

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutan-2-yl)thiophene;ethane?
The IUPAC name of 3-(3,3-dimethylbutan-2-yl)thiophene;ethane (CID 143105363) is 3-(3,3-dimethylbutan-2-yl)thiophene;ethane.
What is the SMILES notation for 3-(3,3-dimethylbutan-2-yl)thiophene;ethane?
The canonical SMILES for 3-(3,3-dimethylbutan-2-yl)thiophene;ethane is CC.CC(c1ccsc1)C(C)(C)C.
What is the InChIKey of 3-(3,3-dimethylbutan-2-yl)thiophene;ethane?
The InChIKey is HIDXSDAKBWFTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S.C2H6/c1-8(10(2,3)4)9-5-6-11-7-9;1-2/h5-8H,1-4H3;1-2H3.
What are the key properties of 3-(3,3-dimethylbutan-2-yl)thiophene;ethane?
3-(3,3-dimethylbutan-2-yl)thiophene;ethane has a molecular weight of 198.38 g/mol, XLogP of 4.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutan-2-yl)thiophene;ethane is sourced from PubChem (CID 143105363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).