2,5-di(butan-2-yl)thiophene

C12H20S — CID 89217006

IUPAC2,5-di(butan-2-yl)thiophene
SMILESCCC(C)c1ccc(C(C)CC)s1
InChIInChI=1S/C12H20S/c1-5-9(3)11-7-8-12(13-11)10(4)6-2/h7-10H,5-6H2,1-4H3
InChIKeyARGBFUQGBYZGAZ-UHFFFAOYSA-N
MW196.36 g/mol
LogP4.78
Rot. Bonds4

About 2,5-di(butan-2-yl)thiophene

2,5-di(butan-2-yl)thiophene (PubChem CID 89217006) has the molecular formula C12H20S and a molecular weight of 196.36 g/mol. Its IUPAC name is 2,5-di(butan-2-yl)thiophene.

Molecular Properties

Compound Name2,5-di(butan-2-yl)thiophene
PubChem CID89217006
Molecular FormulaC12H20S
Molecular Weight196.36 g/mol
Exact Mass196.13
IUPAC Name2,5-di(butan-2-yl)thiophene
SMILESCCC(C)c1ccc(C(C)CC)s1
InChIInChI=1S/C12H20S/c1-5-9(3)11-7-8-12(13-11)10(4)6-2/h7-10H,5-6H2,1-4H3
InChIKeyARGBFUQGBYZGAZ-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.36
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5-butan-2-ylthiophen-2-yl)methanamine
CID 83827152
4-(5-butan-2-ylthiophen-2-yl)piperidine
CID 83839286
2,5-di(propan-2-yl)thiophene
CID 6429946
6-(5-bromothiophen-2-yl)heptane-3,4-diol
CID 83935051
2-[(4-butan-2-ylphenyl)-chloromethyl]-5-methylthiophene
CID 63429994
N-[2-(5-butan-2-ylthiophen-2-yl)-6-methylidene-5-(5-propan-2-ylthiophen-2-yl)cyclohexa-2,4-dien-1-ylidene]thiohydroxylamine
CID 173485165
(2S)-2-(5-methylthiophen-2-yl)propan-1-ol
CID 23660060
2-butan-2-yl-5-[(2E,4E)-6,6-dimethyl-5-prop-1-en-2-ylocta-2,4-dien-2-yl]thiophene
CID 89012218
2,5-bis[bis(ethylsulfanyl)methyl]thiophene
CID 15154092
2,5-di(octan-3-yl)thiophene
CID 151127806
6-(5-propylthiophen-2-yl)heptane-3,4-diol
CID 83929603
1-(4-butan-2-ylphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 43483023

Frequently Asked Questions

What is the IUPAC name of 2,5-di(butan-2-yl)thiophene?
The IUPAC name of 2,5-di(butan-2-yl)thiophene (CID 89217006) is 2,5-di(butan-2-yl)thiophene.
What is the SMILES notation for 2,5-di(butan-2-yl)thiophene?
The canonical SMILES for 2,5-di(butan-2-yl)thiophene is CCC(C)c1ccc(C(C)CC)s1.
What is the InChIKey of 2,5-di(butan-2-yl)thiophene?
The InChIKey is ARGBFUQGBYZGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20S/c1-5-9(3)11-7-8-12(13-11)10(4)6-2/h7-10H,5-6H2,1-4H3.
What are the key properties of 2,5-di(butan-2-yl)thiophene?
2,5-di(butan-2-yl)thiophene has a molecular weight of 196.36 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(butan-2-yl)thiophene is sourced from PubChem (CID 89217006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).