8-amino-3,6-bis(sulfanyl)naphthalen-1-ol

C10H9NOS2 — CID 126707077

IUPAC8-amino-3,6-bis(sulfanyl)naphthalen-1-ol
SMILESNc1cc(S)cc2cc(S)cc(O)c12
InChIInChI=1S/C10H9NOS2/c11-8-3-6(13)1-5-2-7(14)4-9(12)10(5)8/h1-4,12-14H,11H2
InChIKeyMJPXFHGDZZGQPV-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.70
Rot. Bonds

About 8-amino-3,6-bis(sulfanyl)naphthalen-1-ol

8-amino-3,6-bis(sulfanyl)naphthalen-1-ol (PubChem CID 126707077) has the molecular formula C10H9NOS2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 8-amino-3,6-bis(sulfanyl)naphthalen-1-ol.

Molecular Properties

Compound Name8-amino-3,6-bis(sulfanyl)naphthalen-1-ol
PubChem CID126707077
Molecular FormulaC10H9NOS2
Molecular Weight223.32 g/mol
Exact Mass223.01
IUPAC Name8-amino-3,6-bis(sulfanyl)naphthalen-1-ol
SMILESNc1cc(S)cc2cc(S)cc(O)c12
InChIInChI=1S/C10H9NOS2/c11-8-3-6(13)1-5-2-7(14)4-9(12)10(5)8/h1-4,12-14H,11H2
InChIKeyMJPXFHGDZZGQPV-UHFFFAOYSA-N
XLogP2.70
TPSA46.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 8-amino-3,6-bis(sulfanyl)naphthalen-1-ol?
The IUPAC name of 8-amino-3,6-bis(sulfanyl)naphthalen-1-ol (CID 126707077) is 8-amino-3,6-bis(sulfanyl)naphthalen-1-ol.
What is the SMILES notation for 8-amino-3,6-bis(sulfanyl)naphthalen-1-ol?
The canonical SMILES for 8-amino-3,6-bis(sulfanyl)naphthalen-1-ol is Nc1cc(S)cc2cc(S)cc(O)c12.
What is the InChIKey of 8-amino-3,6-bis(sulfanyl)naphthalen-1-ol?
The InChIKey is MJPXFHGDZZGQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS2/c11-8-3-6(13)1-5-2-7(14)4-9(12)10(5)8/h1-4,12-14H,11H2.
What are the key properties of 8-amino-3,6-bis(sulfanyl)naphthalen-1-ol?
8-amino-3,6-bis(sulfanyl)naphthalen-1-ol has a molecular weight of 223.32 g/mol, XLogP of 2.70, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3,6-bis(sulfanyl)naphthalen-1-ol is sourced from PubChem (CID 126707077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).