3-aminonaphthalene-1,5-dithiol

C10H9NS2 — CID 89162273

IUPAC3-aminonaphthalene-1,5-dithiol
SMILESNc1cc(S)c2cccc(S)c2c1
InChIInChI=1S/C10H9NS2/c11-6-4-8-7(10(13)5-6)2-1-3-9(8)12/h1-5,12-13H,11H2
InChIKeyIUFIDCKPYBWICT-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.00
Rot. Bonds

About 3-aminonaphthalene-1,5-dithiol

3-aminonaphthalene-1,5-dithiol (PubChem CID 89162273) has the molecular formula C10H9NS2 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-aminonaphthalene-1,5-dithiol.

Molecular Properties

Compound Name3-aminonaphthalene-1,5-dithiol
PubChem CID89162273
Molecular FormulaC10H9NS2
Molecular Weight207.32 g/mol
Exact Mass207.02
IUPAC Name3-aminonaphthalene-1,5-dithiol
SMILESNc1cc(S)c2cccc(S)c2c1
InChIInChI=1S/C10H9NS2/c11-6-4-8-7(10(13)5-6)2-1-3-9(8)12/h1-5,12-13H,11H2
InChIKeyIUFIDCKPYBWICT-UHFFFAOYSA-N
XLogP3.00
TPSA26.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-aminonaphthalene-1,5-dithiol?
The IUPAC name of 3-aminonaphthalene-1,5-dithiol (CID 89162273) is 3-aminonaphthalene-1,5-dithiol.
What is the SMILES notation for 3-aminonaphthalene-1,5-dithiol?
The canonical SMILES for 3-aminonaphthalene-1,5-dithiol is Nc1cc(S)c2cccc(S)c2c1.
What is the InChIKey of 3-aminonaphthalene-1,5-dithiol?
The InChIKey is IUFIDCKPYBWICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS2/c11-6-4-8-7(10(13)5-6)2-1-3-9(8)12/h1-5,12-13H,11H2.
What are the key properties of 3-aminonaphthalene-1,5-dithiol?
3-aminonaphthalene-1,5-dithiol has a molecular weight of 207.32 g/mol, XLogP of 3.00, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminonaphthalene-1,5-dithiol is sourced from PubChem (CID 89162273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).