8-(2-aminoethylamino)naphthalene-1-thiol

C12H14N2S — CID 145045793

IUPAC8-(2-aminoethylamino)naphthalene-1-thiol
SMILESNCCNc1cccc2cccc(S)c12
InChIInChI=1S/C12H14N2S/c13-7-8-14-10-5-1-3-9-4-2-6-11(15)12(9)10/h1-6,14-15H,7-8,13H2
InChIKeyYFWQPJFKNXPLKN-UHFFFAOYSA-N
MW218.33 g/mol
LogP2.50
Rot. Bonds3

About 8-(2-aminoethylamino)naphthalene-1-thiol

8-(2-aminoethylamino)naphthalene-1-thiol (PubChem CID 145045793) has the molecular formula C12H14N2S and a molecular weight of 218.33 g/mol. Its IUPAC name is 8-(2-aminoethylamino)naphthalene-1-thiol.

Molecular Properties

Compound Name8-(2-aminoethylamino)naphthalene-1-thiol
PubChem CID145045793
Molecular FormulaC12H14N2S
Molecular Weight218.33 g/mol
Exact Mass218.09
IUPAC Name8-(2-aminoethylamino)naphthalene-1-thiol
SMILESNCCNc1cccc2cccc(S)c12
InChIInChI=1S/C12H14N2S/c13-7-8-14-10-5-1-3-9-4-2-6-11(15)12(9)10/h1-6,14-15H,7-8,13H2
InChIKeyYFWQPJFKNXPLKN-UHFFFAOYSA-N
XLogP2.50
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.33
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[8-(2-aminoethylamino)naphthalen-1-yl] hydrogen sulfite
CID 118958952
8-[2-[2-[(2-chloronaphthalen-1-yl)amino]ethylamino]ethylamino]naphthalene-1-thiol
CID 67942588
8-[[(2R)-butan-2-yl]amino]naphthalene-1-thiol
CID 22868671
N'-naphthalen-1-ylethane-1,2-diamine;bis(nitric acid)
CID 158525985
8-aminonaphthalene-1-thiol
CID 12574382
N'-(2-fluoro-3-methylphenyl)ethane-1,2-diamine
CID 130589219
3-[(8-aminonaphthalen-1-yl)amino]propanenitrile
CID 71364155
5,8-bis(2-aminoethylamino)anthracene-1,4,9,10-tetrol
CID 91623335
2-hydroxypropane-1,2,3-tricarboxylic acid;N'-naphthalen-1-ylethane-1,2-diamine
CID 174670333
2-(2-aminoethylamino)-6-chlorobenzonitrile
CID 62496330
N'-quinolin-5-ylethane-1,2-diamine
CID 81217065
N'-(2,3-dihydro-1,4-benzodioxin-5-yl)ethane-1,2-diamine
CID 53433622

Frequently Asked Questions

What is the IUPAC name of 8-(2-aminoethylamino)naphthalene-1-thiol?
The IUPAC name of 8-(2-aminoethylamino)naphthalene-1-thiol (CID 145045793) is 8-(2-aminoethylamino)naphthalene-1-thiol.
What is the SMILES notation for 8-(2-aminoethylamino)naphthalene-1-thiol?
The canonical SMILES for 8-(2-aminoethylamino)naphthalene-1-thiol is NCCNc1cccc2cccc(S)c12.
What is the InChIKey of 8-(2-aminoethylamino)naphthalene-1-thiol?
The InChIKey is YFWQPJFKNXPLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c13-7-8-14-10-5-1-3-9-4-2-6-11(15)12(9)10/h1-6,14-15H,7-8,13H2.
What are the key properties of 8-(2-aminoethylamino)naphthalene-1-thiol?
8-(2-aminoethylamino)naphthalene-1-thiol has a molecular weight of 218.33 g/mol, XLogP of 2.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminoethylamino)naphthalene-1-thiol is sourced from PubChem (CID 145045793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).