8-bromonaphthalene-2-thiol

C10H7BrS — CID 168807371

IUPAC8-bromonaphthalene-2-thiol
SMILESSc1ccc2cccc(Br)c2c1
InChIInChI=1S/C10H7BrS/c11-10-3-1-2-7-4-5-8(12)6-9(7)10/h1-6,12H
InChIKeyNVYRHPZIKWHTAB-UHFFFAOYSA-N
MW239.14 g/mol
LogP3.89
Rot. Bonds

About 8-bromonaphthalene-2-thiol

8-bromonaphthalene-2-thiol (PubChem CID 168807371) has the molecular formula C10H7BrS and a molecular weight of 239.14 g/mol. Its IUPAC name is 8-bromonaphthalene-2-thiol.

Molecular Properties

Compound Name8-bromonaphthalene-2-thiol
PubChem CID168807371
Molecular FormulaC10H7BrS
Molecular Weight239.14 g/mol
Exact Mass237.95
IUPAC Name8-bromonaphthalene-2-thiol
SMILESSc1ccc2cccc(Br)c2c1
InChIInChI=1S/C10H7BrS/c11-10-3-1-2-7-4-5-8(12)6-9(7)10/h1-6,12H
InChIKeyNVYRHPZIKWHTAB-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.14
LogP ≤ 53.89
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 8-bromonaphthalene-2-thiol?
The IUPAC name of 8-bromonaphthalene-2-thiol (CID 168807371) is 8-bromonaphthalene-2-thiol.
What is the SMILES notation for 8-bromonaphthalene-2-thiol?
The canonical SMILES for 8-bromonaphthalene-2-thiol is Sc1ccc2cccc(Br)c2c1.
What is the InChIKey of 8-bromonaphthalene-2-thiol?
The InChIKey is NVYRHPZIKWHTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrS/c11-10-3-1-2-7-4-5-8(12)6-9(7)10/h1-6,12H.
What are the key properties of 8-bromonaphthalene-2-thiol?
8-bromonaphthalene-2-thiol has a molecular weight of 239.14 g/mol, XLogP of 3.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromonaphthalene-2-thiol is sourced from PubChem (CID 168807371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).