1-amino-6-tert-butylnaphthalene-2-thiol

C14H17NS — CID 58927019

IUPAC1-amino-6-tert-butylnaphthalene-2-thiol
SMILESCC(C)(C)c1ccc2c(N)c(S)ccc2c1
InChIInChI=1S/C14H17NS/c1-14(2,3)10-5-6-11-9(8-10)4-7-12(16)13(11)15/h4-8,16H,15H2,1-3H3
InChIKeyWUDVVEAZKGPHCG-UHFFFAOYSA-N
MW231.36 g/mol
LogP4.01
Rot. Bonds

About 1-amino-6-tert-butylnaphthalene-2-thiol

1-amino-6-tert-butylnaphthalene-2-thiol (PubChem CID 58927019) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 1-amino-6-tert-butylnaphthalene-2-thiol.

Molecular Properties

Compound Name1-amino-6-tert-butylnaphthalene-2-thiol
PubChem CID58927019
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name1-amino-6-tert-butylnaphthalene-2-thiol
SMILESCC(C)(C)c1ccc2c(N)c(S)ccc2c1
InChIInChI=1S/C14H17NS/c1-14(2,3)10-5-6-11-9(8-10)4-7-12(16)13(11)15/h4-8,16H,15H2,1-3H3
InChIKeyWUDVVEAZKGPHCG-UHFFFAOYSA-N
XLogP4.01
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 54.01
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'}

Analyze 1-amino-6-tert-butylnaphthalene-2-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-6-tert-butylnaphthalene-2-thiol?
The IUPAC name of 1-amino-6-tert-butylnaphthalene-2-thiol (CID 58927019) is 1-amino-6-tert-butylnaphthalene-2-thiol.
What is the SMILES notation for 1-amino-6-tert-butylnaphthalene-2-thiol?
The canonical SMILES for 1-amino-6-tert-butylnaphthalene-2-thiol is CC(C)(C)c1ccc2c(N)c(S)ccc2c1.
What is the InChIKey of 1-amino-6-tert-butylnaphthalene-2-thiol?
The InChIKey is WUDVVEAZKGPHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-14(2,3)10-5-6-11-9(8-10)4-7-12(16)13(11)15/h4-8,16H,15H2,1-3H3.
What are the key properties of 1-amino-6-tert-butylnaphthalene-2-thiol?
1-amino-6-tert-butylnaphthalene-2-thiol has a molecular weight of 231.36 g/mol, XLogP of 4.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-tert-butylnaphthalene-2-thiol is sourced from PubChem (CID 58927019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).