2-amino-1H-naphthalene-2-thiol

C10H11NS — CID 150575207

IUPAC2-amino-1H-naphthalene-2-thiol
SMILESNC1(S)C=Cc2ccccc2C1
InChIInChI=1S/C10H11NS/c11-10(12)6-5-8-3-1-2-4-9(8)7-10/h1-6,12H,7,11H2
InChIKeyIMQSLHDSTPXRGQ-UHFFFAOYSA-N
MW177.27 g/mol
LogP1.84
Rot. Bonds

About 2-amino-1H-naphthalene-2-thiol

2-amino-1H-naphthalene-2-thiol (PubChem CID 150575207) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is 2-amino-1H-naphthalene-2-thiol.

Molecular Properties

Compound Name2-amino-1H-naphthalene-2-thiol
PubChem CID150575207
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name2-amino-1H-naphthalene-2-thiol
SMILESNC1(S)C=Cc2ccccc2C1
InChIInChI=1S/C10H11NS/c11-10(12)6-5-8-3-1-2-4-9(8)7-10/h1-6,12H,7,11H2
InChIKeyIMQSLHDSTPXRGQ-UHFFFAOYSA-N
XLogP1.84
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1H-naphthalene-2-thiol?
The IUPAC name of 2-amino-1H-naphthalene-2-thiol (CID 150575207) is 2-amino-1H-naphthalene-2-thiol.
What is the SMILES notation for 2-amino-1H-naphthalene-2-thiol?
The canonical SMILES for 2-amino-1H-naphthalene-2-thiol is NC1(S)C=Cc2ccccc2C1.
What is the InChIKey of 2-amino-1H-naphthalene-2-thiol?
The InChIKey is IMQSLHDSTPXRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS/c11-10(12)6-5-8-3-1-2-4-9(8)7-10/h1-6,12H,7,11H2.
What are the key properties of 2-amino-1H-naphthalene-2-thiol?
2-amino-1H-naphthalene-2-thiol has a molecular weight of 177.27 g/mol, XLogP of 1.84, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1H-naphthalene-2-thiol is sourced from PubChem (CID 150575207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).