8-aminonaphthalene-1-thiol

C10H9NS — CID 12574382

IUPAC8-aminonaphthalene-1-thiol
SMILESNc1cccc2cccc(S)c12
InChIInChI=1S/C10H9NS/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6,12H,11H2
InChIKeyWADVNNXCMDTMFG-UHFFFAOYSA-N
MW175.26 g/mol
LogP2.71
Rot. Bonds

About 8-aminonaphthalene-1-thiol

8-aminonaphthalene-1-thiol (PubChem CID 12574382) has the molecular formula C10H9NS and a molecular weight of 175.26 g/mol. Its IUPAC name is 8-aminonaphthalene-1-thiol.

Molecular Properties

Compound Name8-aminonaphthalene-1-thiol
PubChem CID12574382
Molecular FormulaC10H9NS
Molecular Weight175.26 g/mol
Exact Mass175.05
IUPAC Name8-aminonaphthalene-1-thiol
SMILESNc1cccc2cccc(S)c12
InChIInChI=1S/C10H9NS/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6,12H,11H2
InChIKeyWADVNNXCMDTMFG-UHFFFAOYSA-N
XLogP2.71
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;naphthalene-1,8-diamine
CID 90905453
2-aminobenzenethiol;hydrofluoride
CID 175609011
2-aminobenzenethiol;titanium
CID 157138164
CID 175973603
CID 175973603
2-aminobenzenethiol;gold
CID 90301635
8-diphenylphosphanylnaphthalene-1-thiol
CID 58555902
8-sulfanylnaphthalene-1,2-diol
CID 142855011
(8-aminonaphthalen-1-yl)methanol
CID 118807853
8-dimethylphosphanylnaphthalen-1-amine
CID 132564954
5-diphenylphosphanylphenanthrene-4-thiol
CID 118404150
8-(2-aminoethylamino)naphthalene-1-thiol
CID 145045793
naphthalene-1,6-diamine;naphthalene-1,8-diamine
CID 158469220

Frequently Asked Questions

What is the IUPAC name of 8-aminonaphthalene-1-thiol?
The IUPAC name of 8-aminonaphthalene-1-thiol (CID 12574382) is 8-aminonaphthalene-1-thiol.
What is the SMILES notation for 8-aminonaphthalene-1-thiol?
The canonical SMILES for 8-aminonaphthalene-1-thiol is Nc1cccc2cccc(S)c12.
What is the InChIKey of 8-aminonaphthalene-1-thiol?
The InChIKey is WADVNNXCMDTMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6,12H,11H2.
What are the key properties of 8-aminonaphthalene-1-thiol?
8-aminonaphthalene-1-thiol has a molecular weight of 175.26 g/mol, XLogP of 2.71, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-aminonaphthalene-1-thiol is sourced from PubChem (CID 12574382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).