1-(3-sulfanylprop-1-ynyl)naphthalen-2-ol

C13H10OS — CID 169487263

IUPAC1-(3-sulfanylprop-1-ynyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C#CCS
InChIInChI=1S/C13H10OS/c14-13-8-7-10-4-1-2-5-11(10)12(13)6-3-9-15/h1-2,4-5,7-8,14-15H,9H2
InChIKeyCEJAIRQPXGKCID-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.83
Rot. Bonds

About 1-(3-sulfanylprop-1-ynyl)naphthalen-2-ol

1-(3-sulfanylprop-1-ynyl)naphthalen-2-ol (PubChem CID 169487263) has the molecular formula C13H10OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 1-(3-sulfanylprop-1-ynyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(3-sulfanylprop-1-ynyl)naphthalen-2-ol
PubChem CID169487263
Molecular FormulaC13H10OS
Molecular Weight214.29 g/mol
Exact Mass214.05
IUPAC Name1-(3-sulfanylprop-1-ynyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C#CCS
InChIInChI=1S/C13H10OS/c14-13-8-7-10-4-1-2-5-11(10)12(13)6-3-9-15/h1-2,4-5,7-8,14-15H,9H2
InChIKeyCEJAIRQPXGKCID-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-hydroxyprop-1-ynyl)naphthalen-2-ol
CID 169485554
1-[2-[2-(1-benzothiophen-2-yl)phenyl]ethynyl]naphthalen-2-ol
CID 122363300
1-iodonaphthalen-2-ol
CID 16250
1-fluoronaphthalen-2-ol
CID 11094948
naphthalene-1,2-diol;naphthalene-1,4-diol
CID 157322625
cyanic acid;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 70289333
[2-(3-sulfanylprop-1-ynyl)phenyl]methanol
CID 169486145
2-methyl-1-[2-(2-methylnaphthalen-1-yl)ethynyl]naphthalene
CID 15355669
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid
CID 173338729
naphthalene;naphthalen-1-ol
CID 174561564
tetrakis(naphthalen-1-ol);titanium
CID 18400436
(2-hydroxynaphthalen-1-yl) hydrogen sulfite
CID 57100995

Frequently Asked Questions

What is the IUPAC name of 1-(3-sulfanylprop-1-ynyl)naphthalen-2-ol?
The IUPAC name of 1-(3-sulfanylprop-1-ynyl)naphthalen-2-ol (CID 169487263) is 1-(3-sulfanylprop-1-ynyl)naphthalen-2-ol.
What is the SMILES notation for 1-(3-sulfanylprop-1-ynyl)naphthalen-2-ol?
The canonical SMILES for 1-(3-sulfanylprop-1-ynyl)naphthalen-2-ol is Oc1ccc2ccccc2c1C#CCS.
What is the InChIKey of 1-(3-sulfanylprop-1-ynyl)naphthalen-2-ol?
The InChIKey is CEJAIRQPXGKCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10OS/c14-13-8-7-10-4-1-2-5-11(10)12(13)6-3-9-15/h1-2,4-5,7-8,14-15H,9H2.
What are the key properties of 1-(3-sulfanylprop-1-ynyl)naphthalen-2-ol?
1-(3-sulfanylprop-1-ynyl)naphthalen-2-ol has a molecular weight of 214.29 g/mol, XLogP of 2.83, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-sulfanylprop-1-ynyl)naphthalen-2-ol is sourced from PubChem (CID 169487263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).