5,6,7,8-tetrahydronaphthalene-2-thiol

C10H12S — CID 12698218

IUPAC5,6,7,8-tetrahydronaphthalene-2-thiol
SMILESSc1ccc2c(c1)CCCC2
InChIInChI=1S/C10H12S/c11-10-6-5-8-3-1-2-4-9(8)7-10/h5-7,11H,1-4H2
InChIKeyHMSWNXYQGGMCCN-UHFFFAOYSA-N
MW164.27 g/mol
LogP2.85
Rot. Bonds

About 5,6,7,8-tetrahydronaphthalene-2-thiol

5,6,7,8-tetrahydronaphthalene-2-thiol (PubChem CID 12698218) has the molecular formula C10H12S and a molecular weight of 164.27 g/mol. Its IUPAC name is 5,6,7,8-tetrahydronaphthalene-2-thiol.

Molecular Properties

Compound Name5,6,7,8-tetrahydronaphthalene-2-thiol
PubChem CID12698218
Molecular FormulaC10H12S
Molecular Weight164.27 g/mol
Exact Mass164.07
IUPAC Name5,6,7,8-tetrahydronaphthalene-2-thiol
SMILESSc1ccc2c(c1)CCCC2
InChIInChI=1S/C10H12S/c11-10-6-5-8-3-1-2-4-9(8)7-10/h5-7,11H,1-4H2
InChIKeyHMSWNXYQGGMCCN-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 52.85
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 5,6,7,8-tetrahydronaphthalene-2-thiol?
The IUPAC name of 5,6,7,8-tetrahydronaphthalene-2-thiol (CID 12698218) is 5,6,7,8-tetrahydronaphthalene-2-thiol.
What is the SMILES notation for 5,6,7,8-tetrahydronaphthalene-2-thiol?
The canonical SMILES for 5,6,7,8-tetrahydronaphthalene-2-thiol is Sc1ccc2c(c1)CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydronaphthalene-2-thiol?
The InChIKey is HMSWNXYQGGMCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12S/c11-10-6-5-8-3-1-2-4-9(8)7-10/h5-7,11H,1-4H2.
What are the key properties of 5,6,7,8-tetrahydronaphthalene-2-thiol?
5,6,7,8-tetrahydronaphthalene-2-thiol has a molecular weight of 164.27 g/mol, XLogP of 2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydronaphthalene-2-thiol is sourced from PubChem (CID 12698218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).