6-methyl-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde

C12H12OS — CID 24859406

IUPAC6-methyl-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde
SMILESCC1CC(c2cccs2)=CC=C1C=O
InChIInChI=1S/C12H12OS/c1-9-7-10(4-5-11(9)8-13)12-3-2-6-14-12/h2-6,8-9H,7H2,1H3
InChIKeyULZFTLZKGXVQGQ-UHFFFAOYSA-N
MW204.29 g/mol
LogP3.30
Rot. Bonds2

About 6-methyl-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde

6-methyl-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 24859406) has the molecular formula C12H12OS and a molecular weight of 204.29 g/mol. Its IUPAC name is 6-methyl-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name6-methyl-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde
PubChem CID24859406
Molecular FormulaC12H12OS
Molecular Weight204.29 g/mol
Exact Mass204.06
IUPAC Name6-methyl-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde
SMILESCC1CC(c2cccs2)=CC=C1C=O
InChIInChI=1S/C12H12OS/c1-9-7-10(4-5-11(9)8-13)12-3-2-6-14-12/h2-6,8-9H,7H2,1H3
InChIKeyULZFTLZKGXVQGQ-UHFFFAOYSA-N
XLogP3.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-methyl-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-nitrophenyl)-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde
CID 24858818
5,6,6-trimethyl-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde
CID 24859966
2-methyl-4-thiophen-2-yl-1,2,3,6-tetrahydropyridine
CID 69191672
2-methyl-4-thiophen-2-yl-2,3-dihydroinden-1-one
CID 22173067
(3aS,6aR)-5-thiophen-2-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole
CID 90224764
3-ethyl-3-methyl-5-thiophen-2-yl-2,4-dihydro-1H-pyridine-2-carbaldehyde
CID 174866208
2-tert-butylthiophene;oxaldehyde
CID 175171370
(2E,6E)-4-tert-butyl-2,6-bis(2-thiophen-2-ylthiophen-1-ylidene)cyclohexan-1-one
CID 156598690
2-(5-thiophen-2-ylthiophen-2-yl)cyclobutene-1-carbaldehyde
CID 122234024
tert-butyl 5-oxo-3-thiophen-2-yl-2H-pyrrole-1-carboxylate
CID 102151559
5-(5-formyl-4-thiophen-2-yl-1H-pyrrol-2-yl)-3-thiophen-2-yl-1H-pyrrole-2-carbaldehyde
CID 102347965
tert-butyl 5-thiophen-2-yl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;methane
CID 157154723

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of 6-methyl-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde (CID 24859406) is 6-methyl-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 6-methyl-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for 6-methyl-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde is CC1CC(c2cccs2)=CC=C1C=O.
What is the InChIKey of 6-methyl-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is ULZFTLZKGXVQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12OS/c1-9-7-10(4-5-11(9)8-13)12-3-2-6-14-12/h2-6,8-9H,7H2,1H3.
What are the key properties of 6-methyl-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde?
6-methyl-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 204.29 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 24859406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).