2-propan-2-ylthiophene

C14H20S2 — CID 178128598

IUPAC2-propan-2-ylthiophene
SMILESCC(C)c1cccs1.CC(C)c1cccs1
InChIInChI=1S/2C7H10S/c2*1-6(2)7-4-3-5-8-7/h2*3-6H,1-2H3
InChIKeyJSFBHQCGPJCHQV-UHFFFAOYSA-N
MW252.45 g/mol
LogP5.74
Rot. Bonds2

About 2-propan-2-ylthiophene

2-propan-2-ylthiophene (PubChem CID 178128598) has the molecular formula C14H20S2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-propan-2-ylthiophene.

Molecular Properties

Compound Name2-propan-2-ylthiophene
PubChem CID178128598
Molecular FormulaC14H20S2
Molecular Weight252.45 g/mol
Exact Mass252.10
IUPAC Name2-propan-2-ylthiophene
SMILESCC(C)c1cccs1.CC(C)c1cccs1
InChIInChI=1S/2C7H10S/c2*1-6(2)7-4-3-5-8-7/h2*3-6H,1-2H3
InChIKeyJSFBHQCGPJCHQV-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.45
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;phenol;2-propan-2-ylthiophene
CID 161233504
2-chloro-5-propan-2-ylthiophene;2-propan-2-ylthiophene
CID 165073785
2-[(2S,3S)-3-bromobutan-2-yl]thiophene
CID 97044464
1,3,5-tris(1-thiophen-2-ylethyl)-1,3,5-triazinane
CID 68714918
1-thiophen-2-ylethylhydrazine
CID 18071025
(1R,2R)-3-methyl-1-thiophen-2-ylbutane-1,2-diol
CID 138661529
N-(2-methyl-1-thiophen-2-ylpropyl)hydroxylamine
CID 82685515
2-bromo-1-thiophen-2-ylpropan-1-ol
CID 116863277
(1R,2R)-1,2-dithiophen-2-ylethane-1,2-diamine
CID 156789144
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
2,4-dichloro-6-propan-2-ylpyrimidine;2-propan-2-ylthiophene
CID 159365099
ethane;2-(2-methylpropyl)furan;2-propan-2-ylthiophene
CID 170971854

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylthiophene?
The IUPAC name of 2-propan-2-ylthiophene (CID 178128598) is 2-propan-2-ylthiophene.
What is the SMILES notation for 2-propan-2-ylthiophene?
The canonical SMILES for 2-propan-2-ylthiophene is CC(C)c1cccs1.CC(C)c1cccs1.
What is the InChIKey of 2-propan-2-ylthiophene?
The InChIKey is JSFBHQCGPJCHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H10S/c2*1-6(2)7-4-3-5-8-7/h2*3-6H,1-2H3.
What are the key properties of 2-propan-2-ylthiophene?
2-propan-2-ylthiophene has a molecular weight of 252.45 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylthiophene is sourced from PubChem (CID 178128598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).