naphthalene-2-thiol;propan-1-amine

C13H17NS — CID 162435108

IUPACnaphthalene-2-thiol;propan-1-amine
SMILESCCCN.Sc1ccc2ccccc2c1
InChIInChI=1S/C10H8S.C3H9N/c11-10-6-5-8-3-1-2-4-9(8)7-10;1-2-3-4/h1-7,11H;2-4H2,1H3
InChIKeyGRUYBZFNCBJSLU-UHFFFAOYSA-N
MW219.35 g/mol
LogP3.48
Rot. Bonds1

About naphthalene-2-thiol;propan-1-amine

naphthalene-2-thiol;propan-1-amine (PubChem CID 162435108) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is naphthalene-2-thiol;propan-1-amine.

Molecular Properties

Compound Namenaphthalene-2-thiol;propan-1-amine
PubChem CID162435108
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Namenaphthalene-2-thiol;propan-1-amine
SMILESCCCN.Sc1ccc2ccccc2c1
InChIInChI=1S/C10H8S.C3H9N/c11-10-6-5-8-3-1-2-4-9(8)7-10;1-2-3-4/h1-7,11H;2-4H2,1H3
InChIKeyGRUYBZFNCBJSLU-UHFFFAOYSA-N
XLogP3.48
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 naphthalene-2-thiol;propan-1-amine?
The IUPAC name of naphthalene-2-thiol;propan-1-amine (CID 162435108) is naphthalene-2-thiol;propan-1-amine.
What is the SMILES notation for naphthalene-2-thiol;propan-1-amine?
The canonical SMILES for naphthalene-2-thiol;propan-1-amine is CCCN.Sc1ccc2ccccc2c1.
What is the InChIKey of naphthalene-2-thiol;propan-1-amine?
The InChIKey is GRUYBZFNCBJSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8S.C3H9N/c11-10-6-5-8-3-1-2-4-9(8)7-10;1-2-3-4/h1-7,11H;2-4H2,1H3.
What are the key properties of naphthalene-2-thiol;propan-1-amine?
naphthalene-2-thiol;propan-1-amine has a molecular weight of 219.35 g/mol, XLogP of 3.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-2-thiol;propan-1-amine is sourced from PubChem (CID 162435108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).