5-methyl-4-methylsulfanylthiophene-2-carbaldehyde

C7H8OS2 — CID 123544567

IUPAC5-methyl-4-methylsulfanylthiophene-2-carbaldehyde
SMILESCSc1cc(C=O)sc1C
InChIInChI=1S/C7H8OS2/c1-5-7(9-2)3-6(4-8)10-5/h3-4H,1-2H3
InChIKeyYRGCAEVPSDKLQF-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.59
Rot. Bonds2

About 5-methyl-4-methylsulfanylthiophene-2-carbaldehyde

5-methyl-4-methylsulfanylthiophene-2-carbaldehyde (PubChem CID 123544567) has the molecular formula C7H8OS2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 5-methyl-4-methylsulfanylthiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-methyl-4-methylsulfanylthiophene-2-carbaldehyde
PubChem CID123544567
Molecular FormulaC7H8OS2
Molecular Weight172.27 g/mol
Exact Mass172.00
IUPAC Name5-methyl-4-methylsulfanylthiophene-2-carbaldehyde
SMILESCSc1cc(C=O)sc1C
InChIInChI=1S/C7H8OS2/c1-5-7(9-2)3-6(4-8)10-5/h3-4H,1-2H3
InChIKeyYRGCAEVPSDKLQF-UHFFFAOYSA-N
XLogP2.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-5-methylthiophene-2-carbaldehyde
CID 82417818
5-formyl-N,N,2-trimethylthiophene-3-carboxamide
CID 58724865
4-(4-fluorobenzoyl)-5-methylthiophene-2-carbaldehyde
CID 82383538
7-chloro-5-methylsulfanyl-1-benzothiophene-2-carbaldehyde
CID 130956451
5-methyl-4-(1-methyl-1,2,4-triazol-3-yl)thiophene-2-carbaldehyde
CID 96616773
6-bromo-7-methylsulfanyl-1-benzothiophene-2-carbaldehyde
CID 130951685
4-hydroxy-6-methylsulfanyl-1-benzothiophene-2-carbaldehyde
CID 131122803
5-methyl-4-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carbaldehyde
CID 96616781
2-methylsulfanyl-1,3-thiazole-5-carbaldehyde
CID 45084000
5-hydroxy-4-methylsulfanyl-1-benzothiophene-2-carbaldehyde
CID 131014628
5-formyl-3-methylthiophene-2-carboxylic acid
CID 82412510
4-[(2-bromophenoxy)methyl]-5-methylthiophene-2-carbaldehyde
CID 726877

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-methylsulfanylthiophene-2-carbaldehyde?
The IUPAC name of 5-methyl-4-methylsulfanylthiophene-2-carbaldehyde (CID 123544567) is 5-methyl-4-methylsulfanylthiophene-2-carbaldehyde.
What is the SMILES notation for 5-methyl-4-methylsulfanylthiophene-2-carbaldehyde?
The canonical SMILES for 5-methyl-4-methylsulfanylthiophene-2-carbaldehyde is CSc1cc(C=O)sc1C.
What is the InChIKey of 5-methyl-4-methylsulfanylthiophene-2-carbaldehyde?
The InChIKey is YRGCAEVPSDKLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8OS2/c1-5-7(9-2)3-6(4-8)10-5/h3-4H,1-2H3.
What are the key properties of 5-methyl-4-methylsulfanylthiophene-2-carbaldehyde?
5-methyl-4-methylsulfanylthiophene-2-carbaldehyde has a molecular weight of 172.27 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-methylsulfanylthiophene-2-carbaldehyde is sourced from PubChem (CID 123544567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).