2-tert-butylthiophene;oxaldehyde

C10H14O2S — CID 175171370

IUPAC2-tert-butylthiophene;oxaldehyde
SMILESCC(C)(C)c1cccs1.O=CC=O
InChIInChI=1S/C8H12S.C2H2O2/c1-8(2,3)7-5-4-6-9-7;3-1-2-4/h4-6H,1-3H3;1-2H
InChIKeyQRPQLPCLBGRFJV-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.43
Rot. Bonds1

About 2-tert-butylthiophene;oxaldehyde

2-tert-butylthiophene;oxaldehyde (PubChem CID 175171370) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-tert-butylthiophene;oxaldehyde.

Molecular Properties

Compound Name2-tert-butylthiophene;oxaldehyde
PubChem CID175171370
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name2-tert-butylthiophene;oxaldehyde
SMILESCC(C)(C)c1cccs1.O=CC=O
InChIInChI=1S/C8H12S.C2H2O2/c1-8(2,3)7-5-4-6-9-7;3-1-2-4/h4-6H,1-3H3;1-2H
InChIKeyQRPQLPCLBGRFJV-UHFFFAOYSA-N
XLogP2.43
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 143976463
(2S)-2-amino-2-thiophen-2-ylpropanal
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CID 174915633
2-(1,1-dichloroethyl)thiophene
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CID 19968462
1-hydroxy-1,1-dithiophen-2-ylpropan-2-one
CID 23553455
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CID 158723352
2-methyl-2-thiophen-2-ylpropanoic acid;hydrochloride
CID 67842906
(2S)-2-methyl-5-oxo-2-thiophen-2-ylhexanal
CID 122368701
2-[chloro(difluoro)methyl]thiophene
CID 15727491
ethane;2-(2-methylbutan-2-yl)thiophene
CID 142062871
2,2-dimethylpropanal;2-methylthiophene
CID 142240012

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylthiophene;oxaldehyde?
The IUPAC name of 2-tert-butylthiophene;oxaldehyde (CID 175171370) is 2-tert-butylthiophene;oxaldehyde.
What is the SMILES notation for 2-tert-butylthiophene;oxaldehyde?
The canonical SMILES for 2-tert-butylthiophene;oxaldehyde is CC(C)(C)c1cccs1.O=CC=O.
What is the InChIKey of 2-tert-butylthiophene;oxaldehyde?
The InChIKey is QRPQLPCLBGRFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S.C2H2O2/c1-8(2,3)7-5-4-6-9-7;3-1-2-4/h4-6H,1-3H3;1-2H.
What are the key properties of 2-tert-butylthiophene;oxaldehyde?
2-tert-butylthiophene;oxaldehyde has a molecular weight of 198.29 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylthiophene;oxaldehyde is sourced from PubChem (CID 175171370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).