1-(2-aminonaphthalen-1-yl)naphthalene-2-thiol

C20H15NS — CID 102066261

IUPAC1-(2-aminonaphthalen-1-yl)naphthalene-2-thiol
SMILESNc1ccc2ccccc2c1-c1c(S)ccc2ccccc12
InChIInChI=1S/C20H15NS/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,22H,21H2
InChIKeyOVRXUPNSTTXVTK-UHFFFAOYSA-N
MW301.41 g/mol
LogP5.53
Rot. Bonds1

About 1-(2-aminonaphthalen-1-yl)naphthalene-2-thiol

1-(2-aminonaphthalen-1-yl)naphthalene-2-thiol (PubChem CID 102066261) has the molecular formula C20H15NS and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-(2-aminonaphthalen-1-yl)naphthalene-2-thiol.

Molecular Properties

Compound Name1-(2-aminonaphthalen-1-yl)naphthalene-2-thiol
PubChem CID102066261
Molecular FormulaC20H15NS
Molecular Weight301.41 g/mol
Exact Mass301.09
IUPAC Name1-(2-aminonaphthalen-1-yl)naphthalene-2-thiol
SMILESNc1ccc2ccccc2c1-c1c(S)ccc2ccccc12
InChIInChI=1S/C20H15NS/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,22H,21H2
InChIKeyOVRXUPNSTTXVTK-UHFFFAOYSA-N
XLogP5.53
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.41
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1-(2-aminonaphthalen-1-yl)naphthalene-2-thiol?
The IUPAC name of 1-(2-aminonaphthalen-1-yl)naphthalene-2-thiol (CID 102066261) is 1-(2-aminonaphthalen-1-yl)naphthalene-2-thiol.
What is the SMILES notation for 1-(2-aminonaphthalen-1-yl)naphthalene-2-thiol?
The canonical SMILES for 1-(2-aminonaphthalen-1-yl)naphthalene-2-thiol is Nc1ccc2ccccc2c1-c1c(S)ccc2ccccc12.
What is the InChIKey of 1-(2-aminonaphthalen-1-yl)naphthalene-2-thiol?
The InChIKey is OVRXUPNSTTXVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NS/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,22H,21H2.
What are the key properties of 1-(2-aminonaphthalen-1-yl)naphthalene-2-thiol?
1-(2-aminonaphthalen-1-yl)naphthalene-2-thiol has a molecular weight of 301.41 g/mol, XLogP of 5.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminonaphthalen-1-yl)naphthalene-2-thiol is sourced from PubChem (CID 102066261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).