2-sulfanyloxynaphthalen-1-amine

C10H9NOS — CID 143739116

IUPAC2-sulfanyloxynaphthalen-1-amine
SMILESNc1c(OS)ccc2ccccc12
InChIInChI=1S/C10H9NOS/c11-10-8-4-2-1-3-7(8)5-6-9(10)12-13/h1-6,13H,11H2
InChIKeyDXVIJNIUIPYIAU-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.65
Rot. Bonds1

About 2-sulfanyloxynaphthalen-1-amine

2-sulfanyloxynaphthalen-1-amine (PubChem CID 143739116) has the molecular formula C10H9NOS and a molecular weight of 191.26 g/mol. Its IUPAC name is 2-sulfanyloxynaphthalen-1-amine.

Molecular Properties

Compound Name2-sulfanyloxynaphthalen-1-amine
PubChem CID143739116
Molecular FormulaC10H9NOS
Molecular Weight191.26 g/mol
Exact Mass191.04
IUPAC Name2-sulfanyloxynaphthalen-1-amine
SMILESNc1c(OS)ccc2ccccc12
InChIInChI=1S/C10H9NOS/c11-10-8-4-2-1-3-7(8)5-6-9(10)12-13/h1-6,13H,11H2
InChIKeyDXVIJNIUIPYIAU-UHFFFAOYSA-N
XLogP2.65
TPSA35.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(difluoromethoxy)naphthalen-1-amine;ethane
CID 142518734
2-bromonaphthalen-1-amine
CID 10889478
(1-aminonaphthalen-2-yl) 2-bromopropanoate
CID 162508853
CID 174310277
CID 174310277
1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;hydrochloride
CID 139641730
2-(2,2,3,3-tetramethylcyclopropyl)naphthalen-1-amine
CID 101443770
phenanthrene;phosphane
CID 161431298
phenanthrene;sulfane
CID 159172584
3-bromonaphthalene-1,2-diamine
CID 68737898
1-chloro-2-(1-chloronaphthalen-2-yl)oxynaphthalene
CID 176912299
methyl 1-aminonaphthalene-2-carboxylate
CID 18006268
1-aminonaphthalene-2-carbonyl iodide
CID 89199077

Frequently Asked Questions

What is the IUPAC name of 2-sulfanyloxynaphthalen-1-amine?
The IUPAC name of 2-sulfanyloxynaphthalen-1-amine (CID 143739116) is 2-sulfanyloxynaphthalen-1-amine.
What is the SMILES notation for 2-sulfanyloxynaphthalen-1-amine?
The canonical SMILES for 2-sulfanyloxynaphthalen-1-amine is Nc1c(OS)ccc2ccccc12.
What is the InChIKey of 2-sulfanyloxynaphthalen-1-amine?
The InChIKey is DXVIJNIUIPYIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c11-10-8-4-2-1-3-7(8)5-6-9(10)12-13/h1-6,13H,11H2.
What are the key properties of 2-sulfanyloxynaphthalen-1-amine?
2-sulfanyloxynaphthalen-1-amine has a molecular weight of 191.26 g/mol, XLogP of 2.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyloxynaphthalen-1-amine is sourced from PubChem (CID 143739116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).