3-(1-naphthalen-2-ylethylsulfanyl)propane-1-thiol

C15H18S2 — CID 15731404

IUPAC3-(1-naphthalen-2-ylethylsulfanyl)propane-1-thiol
SMILESCC(SCCCS)c1ccc2ccccc2c1
InChIInChI=1S/C15H18S2/c1-12(17-10-4-9-16)14-8-7-13-5-2-3-6-15(13)11-14/h2-3,5-8,11-12,16H,4,9-10H2,1H3
InChIKeyXSFVILBSDWPLLQ-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.95
Rot. Bonds5

About 3-(1-naphthalen-2-ylethylsulfanyl)propane-1-thiol

3-(1-naphthalen-2-ylethylsulfanyl)propane-1-thiol (PubChem CID 15731404) has the molecular formula C15H18S2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 3-(1-naphthalen-2-ylethylsulfanyl)propane-1-thiol.

Molecular Properties

Compound Name3-(1-naphthalen-2-ylethylsulfanyl)propane-1-thiol
PubChem CID15731404
Molecular FormulaC15H18S2
Molecular Weight262.44 g/mol
Exact Mass262.08
IUPAC Name3-(1-naphthalen-2-ylethylsulfanyl)propane-1-thiol
SMILESCC(SCCCS)c1ccc2ccccc2c1
InChIInChI=1S/C15H18S2/c1-12(17-10-4-9-16)14-8-7-13-5-2-3-6-15(13)11-14/h2-3,5-8,11-12,16H,4,9-10H2,1H3
InChIKeyXSFVILBSDWPLLQ-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-naphthalen-2-ylethanethiol
CID 11672816
ethane;2-propan-2-ylnaphthalene
CID 142226111
(1R)-1-naphthalen-2-ylpentan-1-amine
CID 171201313
2-propan-2-ylpentacene
CID 153380535
methyl-[(1R)-1-naphthalen-2-ylethyl]azanide
CID 59298029
N-methyl-2-naphthalen-2-ylpropan-1-amine
CID 19847434
2-(1-butoxypropan-2-yl)naphthalene
CID 91801948
N-[(1R)-1-naphthalen-2-ylethyl]octan-1-amine
CID 166642930
2-octan-3-ylnaphthalene
CID 14029920
1-naphthalen-2-ylethanamine
CID 3857145
1-naphthalen-2-ylnonylhydrazine
CID 105213332
[(1S)-1-naphthalen-2-ylethyl]azanium chloride
CID 155931519

Frequently Asked Questions

What is the IUPAC name of 3-(1-naphthalen-2-ylethylsulfanyl)propane-1-thiol?
The IUPAC name of 3-(1-naphthalen-2-ylethylsulfanyl)propane-1-thiol (CID 15731404) is 3-(1-naphthalen-2-ylethylsulfanyl)propane-1-thiol.
What is the SMILES notation for 3-(1-naphthalen-2-ylethylsulfanyl)propane-1-thiol?
The canonical SMILES for 3-(1-naphthalen-2-ylethylsulfanyl)propane-1-thiol is CC(SCCCS)c1ccc2ccccc2c1.
What is the InChIKey of 3-(1-naphthalen-2-ylethylsulfanyl)propane-1-thiol?
The InChIKey is XSFVILBSDWPLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18S2/c1-12(17-10-4-9-16)14-8-7-13-5-2-3-6-15(13)11-14/h2-3,5-8,11-12,16H,4,9-10H2,1H3.
What are the key properties of 3-(1-naphthalen-2-ylethylsulfanyl)propane-1-thiol?
3-(1-naphthalen-2-ylethylsulfanyl)propane-1-thiol has a molecular weight of 262.44 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-naphthalen-2-ylethylsulfanyl)propane-1-thiol is sourced from PubChem (CID 15731404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).