4-methylsulfanylnaphthalene-1-carbaldehyde

C12H10OS — CID 15208436

IUPAC4-methylsulfanylnaphthalene-1-carbaldehyde
SMILESCSc1ccc(C=O)c2ccccc12
InChIInChI=1S/C12H10OS/c1-14-12-7-6-9(8-13)10-4-2-3-5-11(10)12/h2-8H,1H3
InChIKeyKSMCVSQYRCBMGK-UHFFFAOYSA-N
MW202.28 g/mol
LogP3.37
Rot. Bonds2

About 4-methylsulfanylnaphthalene-1-carbaldehyde

4-methylsulfanylnaphthalene-1-carbaldehyde (PubChem CID 15208436) has the molecular formula C12H10OS and a molecular weight of 202.28 g/mol. Its IUPAC name is 4-methylsulfanylnaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name4-methylsulfanylnaphthalene-1-carbaldehyde
PubChem CID15208436
Molecular FormulaC12H10OS
Molecular Weight202.28 g/mol
Exact Mass202.05
IUPAC Name4-methylsulfanylnaphthalene-1-carbaldehyde
SMILESCSc1ccc(C=O)c2ccccc12
InChIInChI=1S/C12H10OS/c1-14-12-7-6-9(8-13)10-4-2-3-5-11(10)12/h2-8H,1H3
InChIKeyKSMCVSQYRCBMGK-UHFFFAOYSA-N
XLogP3.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanylnaphthalene-1-carbaldehyde?
The IUPAC name of 4-methylsulfanylnaphthalene-1-carbaldehyde (CID 15208436) is 4-methylsulfanylnaphthalene-1-carbaldehyde.
What is the SMILES notation for 4-methylsulfanylnaphthalene-1-carbaldehyde?
The canonical SMILES for 4-methylsulfanylnaphthalene-1-carbaldehyde is CSc1ccc(C=O)c2ccccc12.
What is the InChIKey of 4-methylsulfanylnaphthalene-1-carbaldehyde?
The InChIKey is KSMCVSQYRCBMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10OS/c1-14-12-7-6-9(8-13)10-4-2-3-5-11(10)12/h2-8H,1H3.
What are the key properties of 4-methylsulfanylnaphthalene-1-carbaldehyde?
4-methylsulfanylnaphthalene-1-carbaldehyde has a molecular weight of 202.28 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanylnaphthalene-1-carbaldehyde is sourced from PubChem (CID 15208436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).