5-methoxy-4-methyl-2-methylsulfanylbenzaldehyde

C10H12O2S — CID 15915318

IUPAC5-methoxy-4-methyl-2-methylsulfanylbenzaldehyde
SMILESCOc1cc(C=O)c(SC)cc1C
InChIInChI=1S/C10H12O2S/c1-7-4-10(13-3)8(6-11)5-9(7)12-2/h4-6H,1-3H3
InChIKeyCEMLUZDTLJFJNM-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.54
Rot. Bonds3

About 5-methoxy-4-methyl-2-methylsulfanylbenzaldehyde

5-methoxy-4-methyl-2-methylsulfanylbenzaldehyde (PubChem CID 15915318) has the molecular formula C10H12O2S and a molecular weight of 196.27 g/mol. Its IUPAC name is 5-methoxy-4-methyl-2-methylsulfanylbenzaldehyde.

Molecular Properties

Compound Name5-methoxy-4-methyl-2-methylsulfanylbenzaldehyde
PubChem CID15915318
Molecular FormulaC10H12O2S
Molecular Weight196.27 g/mol
Exact Mass196.06
IUPAC Name5-methoxy-4-methyl-2-methylsulfanylbenzaldehyde
SMILESCOc1cc(C=O)c(SC)cc1C
InChIInChI=1S/C10H12O2S/c1-7-4-10(13-3)8(6-11)5-9(7)12-2/h4-6H,1-3H3
InChIKeyCEMLUZDTLJFJNM-UHFFFAOYSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-methyl-2-methylsulfanylbenzaldehyde?
The IUPAC name of 5-methoxy-4-methyl-2-methylsulfanylbenzaldehyde (CID 15915318) is 5-methoxy-4-methyl-2-methylsulfanylbenzaldehyde.
What is the SMILES notation for 5-methoxy-4-methyl-2-methylsulfanylbenzaldehyde?
The canonical SMILES for 5-methoxy-4-methyl-2-methylsulfanylbenzaldehyde is COc1cc(C=O)c(SC)cc1C.
What is the InChIKey of 5-methoxy-4-methyl-2-methylsulfanylbenzaldehyde?
The InChIKey is CEMLUZDTLJFJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2S/c1-7-4-10(13-3)8(6-11)5-9(7)12-2/h4-6H,1-3H3.
What are the key properties of 5-methoxy-4-methyl-2-methylsulfanylbenzaldehyde?
5-methoxy-4-methyl-2-methylsulfanylbenzaldehyde has a molecular weight of 196.27 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-methyl-2-methylsulfanylbenzaldehyde is sourced from PubChem (CID 15915318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).