3-sulfanyl-5,6,7,8-tetrahydronaphthalen-1-ol

C10H12OS — CID 149178517

IUPAC3-sulfanyl-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESOc1cc(S)cc2c1CCCC2
InChIInChI=1S/C10H12OS/c11-10-6-8(12)5-7-3-1-2-4-9(7)10/h5-6,11-12H,1-4H2
InChIKeyXAMFYXYFFJLDNN-UHFFFAOYSA-N
MW180.27 g/mol
LogP2.56
Rot. Bonds

About 3-sulfanyl-5,6,7,8-tetrahydronaphthalen-1-ol

3-sulfanyl-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 149178517) has the molecular formula C10H12OS and a molecular weight of 180.27 g/mol. Its IUPAC name is 3-sulfanyl-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name3-sulfanyl-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID149178517
Molecular FormulaC10H12OS
Molecular Weight180.27 g/mol
Exact Mass180.06
IUPAC Name3-sulfanyl-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESOc1cc(S)cc2c1CCCC2
InChIInChI=1S/C10H12OS/c11-10-6-8(12)5-7-3-1-2-4-9(7)10/h5-6,11-12H,1-4H2
InChIKeyXAMFYXYFFJLDNN-UHFFFAOYSA-N
XLogP2.56
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-sulfanyl-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 3-sulfanyl-5,6,7,8-tetrahydronaphthalen-1-ol (CID 149178517) is 3-sulfanyl-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 3-sulfanyl-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 3-sulfanyl-5,6,7,8-tetrahydronaphthalen-1-ol is Oc1cc(S)cc2c1CCCC2.
What is the InChIKey of 3-sulfanyl-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is XAMFYXYFFJLDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12OS/c11-10-6-8(12)5-7-3-1-2-4-9(7)10/h5-6,11-12H,1-4H2.
What are the key properties of 3-sulfanyl-5,6,7,8-tetrahydronaphthalen-1-ol?
3-sulfanyl-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 180.27 g/mol, XLogP of 2.56, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfanyl-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 149178517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).