3-methylnaphthalene-2-thiol

C11H10S — CID 23290280

IUPAC3-methylnaphthalene-2-thiol
SMILESCc1cc2ccccc2cc1S
InChIInChI=1S/C11H10S/c1-8-6-9-4-2-3-5-10(9)7-11(8)12/h2-7,12H,1H3
InChIKeyJYLNNQMBMKLGKZ-UHFFFAOYSA-N
MW174.27 g/mol
LogP3.44
Rot. Bonds

About 3-methylnaphthalene-2-thiol

3-methylnaphthalene-2-thiol (PubChem CID 23290280) has the molecular formula C11H10S and a molecular weight of 174.27 g/mol. Its IUPAC name is 3-methylnaphthalene-2-thiol.

Molecular Properties

Compound Name3-methylnaphthalene-2-thiol
PubChem CID23290280
Molecular FormulaC11H10S
Molecular Weight174.27 g/mol
Exact Mass174.05
IUPAC Name3-methylnaphthalene-2-thiol
SMILESCc1cc2ccccc2cc1S
InChIInChI=1S/C11H10S/c1-8-6-9-4-2-3-5-10(9)7-11(8)12/h2-7,12H,1H3
InChIKeyJYLNNQMBMKLGKZ-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylnaphthalene-2-thiol?
The IUPAC name of 3-methylnaphthalene-2-thiol (CID 23290280) is 3-methylnaphthalene-2-thiol.
What is the SMILES notation for 3-methylnaphthalene-2-thiol?
The canonical SMILES for 3-methylnaphthalene-2-thiol is Cc1cc2ccccc2cc1S.
What is the InChIKey of 3-methylnaphthalene-2-thiol?
The InChIKey is JYLNNQMBMKLGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10S/c1-8-6-9-4-2-3-5-10(9)7-11(8)12/h2-7,12H,1H3.
What are the key properties of 3-methylnaphthalene-2-thiol?
3-methylnaphthalene-2-thiol has a molecular weight of 174.27 g/mol, XLogP of 3.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylnaphthalene-2-thiol is sourced from PubChem (CID 23290280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).