thiophene-2,3,4-tricarbaldehyde

C7H4O3S — CID 130024628

IUPACthiophene-2,3,4-tricarbaldehyde
SMILESO=Cc1csc(C=O)c1C=O
InChIInChI=1S/C7H4O3S/c8-1-5-4-11-7(3-10)6(5)2-9/h1-4H
InChIKeyVRPCTUWIDHRSSP-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.19
Rot. Bonds3

About thiophene-2,3,4-tricarbaldehyde

thiophene-2,3,4-tricarbaldehyde (PubChem CID 130024628) has the molecular formula C7H4O3S and a molecular weight of 168.17 g/mol. Its IUPAC name is thiophene-2,3,4-tricarbaldehyde.

Molecular Properties

Compound Namethiophene-2,3,4-tricarbaldehyde
PubChem CID130024628
Molecular FormulaC7H4O3S
Molecular Weight168.17 g/mol
Exact Mass167.99
IUPAC Namethiophene-2,3,4-tricarbaldehyde
SMILESO=Cc1csc(C=O)c1C=O
InChIInChI=1S/C7H4O3S/c8-1-5-4-11-7(3-10)6(5)2-9/h1-4H
InChIKeyVRPCTUWIDHRSSP-UHFFFAOYSA-N
XLogP1.19
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromothiophene-2,3-dicarbaldehyde
CID 42614189
4,5-bis(ethenyl)thiophene-3-carbaldehyde
CID 144533101
4-ethenyl-5-[(Z)-prop-1-enyl]thiophene-3-carbaldehyde
CID 138612930
4,5-dimethylthiophene-3-carbaldehyde
CID 14335813
2-(5-thiophen-2-ylthiophen-2-yl)thiophene-3,4-dicarbaldehyde
CID 87118157
3,4-diethylthiophene-2-carbaldehyde
CID 139961983
thieno[2,3-c]pyridine-3-carbaldehyde
CID 82374226
5-chloro-4-methoxythiophene-3-carbaldehyde;N-methylmethanamine
CID 142041016
3-ethyl-4-methylthiophene-2-carbaldehyde
CID 82416519
5-amino-4-(trifluoromethyl)thiophene-3-carbaldehyde
CID 82375563
7-(3-formyl-2-benzothiophen-4-yl)-2-benzothiophene-1-carbaldehyde
CID 163622177
3-hydroxybenzene-1,2,4-tricarbaldehyde
CID 170942140

Frequently Asked Questions

What is the IUPAC name of thiophene-2,3,4-tricarbaldehyde?
The IUPAC name of thiophene-2,3,4-tricarbaldehyde (CID 130024628) is thiophene-2,3,4-tricarbaldehyde.
What is the SMILES notation for thiophene-2,3,4-tricarbaldehyde?
The canonical SMILES for thiophene-2,3,4-tricarbaldehyde is O=Cc1csc(C=O)c1C=O.
What is the InChIKey of thiophene-2,3,4-tricarbaldehyde?
The InChIKey is VRPCTUWIDHRSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4O3S/c8-1-5-4-11-7(3-10)6(5)2-9/h1-4H.
What are the key properties of thiophene-2,3,4-tricarbaldehyde?
thiophene-2,3,4-tricarbaldehyde has a molecular weight of 168.17 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiophene-2,3,4-tricarbaldehyde is sourced from PubChem (CID 130024628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).