2-hydroxy-4-methylthiobenzaldehyde

C8H8OS — CID 135703249

IUPAC2-hydroxy-4-methylthiobenzaldehyde
SMILESCc1ccc(C=S)c(O)c1
InChIInChI=1S/C8H8OS/c1-6-2-3-7(5-10)8(9)4-6/h2-5,9H,1H3
InChIKeyKWYMVDJNLBIEGJ-UHFFFAOYSA-N
MW152.22 g/mol
LogP2.05
Rot. Bonds1

About 2-hydroxy-4-methylthiobenzaldehyde

2-hydroxy-4-methylthiobenzaldehyde (PubChem CID 135703249) has the molecular formula C8H8OS and a molecular weight of 152.22 g/mol. Its IUPAC name is 2-hydroxy-4-methylthiobenzaldehyde.

Molecular Properties

Compound Name2-hydroxy-4-methylthiobenzaldehyde
PubChem CID135703249
Molecular FormulaC8H8OS
Molecular Weight152.22 g/mol
Exact Mass152.03
IUPAC Name2-hydroxy-4-methylthiobenzaldehyde
SMILESCc1ccc(C=S)c(O)c1
InChIInChI=1S/C8H8OS/c1-6-2-3-7(5-10)8(9)4-6/h2-5,9H,1H3
InChIKeyKWYMVDJNLBIEGJ-UHFFFAOYSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methylthiobenzaldehyde?
The IUPAC name of 2-hydroxy-4-methylthiobenzaldehyde (CID 135703249) is 2-hydroxy-4-methylthiobenzaldehyde.
What is the SMILES notation for 2-hydroxy-4-methylthiobenzaldehyde?
The canonical SMILES for 2-hydroxy-4-methylthiobenzaldehyde is Cc1ccc(C=S)c(O)c1.
What is the InChIKey of 2-hydroxy-4-methylthiobenzaldehyde?
The InChIKey is KWYMVDJNLBIEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8OS/c1-6-2-3-7(5-10)8(9)4-6/h2-5,9H,1H3.
What are the key properties of 2-hydroxy-4-methylthiobenzaldehyde?
2-hydroxy-4-methylthiobenzaldehyde has a molecular weight of 152.22 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methylthiobenzaldehyde is sourced from PubChem (CID 135703249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).