gold(1+);1H-naphthalen-1-ide-2-thiol

C10H7AuS — CID 87433558

IUPACgold(1+);1H-naphthalen-1-ide-2-thiol
SMILESSc1[c-]c2ccccc2cc1.[Au+]
InChIInChI=1S/C10H7S.Au/c11-10-6-5-8-3-1-2-4-9(8)7-10;/h1-6,11H;/q-1;+1
InChIKeySRVDVDSBNYRIGS-UHFFFAOYSA-N
MW356.20 g/mol
LogP2.93
Rot. Bonds

About gold(1+);1H-naphthalen-1-ide-2-thiol

gold(1+);1H-naphthalen-1-ide-2-thiol (PubChem CID 87433558) has the molecular formula C10H7AuS and a molecular weight of 356.20 g/mol. Its IUPAC name is gold(1+);1H-naphthalen-1-ide-2-thiol.

Molecular Properties

Compound Namegold(1+);1H-naphthalen-1-ide-2-thiol
PubChem CID87433558
Molecular FormulaC10H7AuS
Molecular Weight356.20 g/mol
Exact Mass355.99
IUPAC Namegold(1+);1H-naphthalen-1-ide-2-thiol
SMILESSc1[c-]c2ccccc2cc1.[Au+]
InChIInChI=1S/C10H7S.Au/c11-10-6-5-8-3-1-2-4-9(8)7-10;/h1-6,11H;/q-1;+1
InChIKeySRVDVDSBNYRIGS-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.20
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of gold(1+);1H-naphthalen-1-ide-2-thiol?
The IUPAC name of gold(1+);1H-naphthalen-1-ide-2-thiol (CID 87433558) is gold(1+);1H-naphthalen-1-ide-2-thiol.
What is the SMILES notation for gold(1+);1H-naphthalen-1-ide-2-thiol?
The canonical SMILES for gold(1+);1H-naphthalen-1-ide-2-thiol is Sc1[c-]c2ccccc2cc1.[Au+].
What is the InChIKey of gold(1+);1H-naphthalen-1-ide-2-thiol?
The InChIKey is SRVDVDSBNYRIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7S.Au/c11-10-6-5-8-3-1-2-4-9(8)7-10;/h1-6,11H;/q-1;+1.
What are the key properties of gold(1+);1H-naphthalen-1-ide-2-thiol?
gold(1+);1H-naphthalen-1-ide-2-thiol has a molecular weight of 356.20 g/mol, XLogP of 2.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for gold(1+);1H-naphthalen-1-ide-2-thiol is sourced from PubChem (CID 87433558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).