2-naphthalen-1-ylsulfanylethyl prop-2-enoate

C15H14O2S — CID 57077168

IUPAC2-naphthalen-1-ylsulfanylethyl prop-2-enoate
SMILESC=CC(=O)OCCSc1cccc2ccccc12
InChIInChI=1S/C15H14O2S/c1-2-15(16)17-10-11-18-14-9-5-7-12-6-3-4-8-13(12)14/h2-9H,1,10-11H2
InChIKeyRYKGTWUEXPSRMP-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.66
Rot. Bonds5

About 2-naphthalen-1-ylsulfanylethyl prop-2-enoate

2-naphthalen-1-ylsulfanylethyl prop-2-enoate (PubChem CID 57077168) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-naphthalen-1-ylsulfanylethyl prop-2-enoate.

Molecular Properties

Compound Name2-naphthalen-1-ylsulfanylethyl prop-2-enoate
PubChem CID57077168
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name2-naphthalen-1-ylsulfanylethyl prop-2-enoate
SMILESC=CC(=O)OCCSc1cccc2ccccc12
InChIInChI=1S/C15H14O2S/c1-2-15(16)17-10-11-18-14-9-5-7-12-6-3-4-8-13(12)14/h2-9H,1,10-11H2
InChIKeyRYKGTWUEXPSRMP-UHFFFAOYSA-N
XLogP3.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-naphthalen-1-ylsulfanylpropan-2-ol;prop-2-enoic acid
CID 175303082
2-anthracen-9-ylethyl prop-2-enoate
CID 18335281
2-[4-(4-ethylsulfanylphenyl)sulfanylphenyl]sulfanylethyl prop-2-enoate
CID 90919294
naphthalen-1-yl prop-2-enoate
CID 10192638
4-[[4-naphthalen-1-yloxy-6-(4-prop-2-enoyloxybutoxy)-1,3,5-triazin-2-yl]oxy]butyl prop-2-enoate
CID 118672397
phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162086806
2-[4-[3-[3-[4-(2-prop-2-enoyloxyethoxy)naphthalen-1-yl]naphthalen-2-yl]naphthalen-2-yl]naphthalen-1-yl]oxyethyl prop-2-enoate
CID 118232952
phenanthrene;prop-2-enoic acid
CID 88600118
2-[diphenyl(2-prop-2-enoyloxyethyl)silyl]ethyl prop-2-enoate
CID 155652880
2-naphthalen-1-ylsulfanylacetaldehyde
CID 57268910
2-propan-2-ylsulfanylethyl prop-2-enoate
CID 58422252
6-(1-formylnaphthalen-2-yl)oxyhexyl prop-2-enoate
CID 20798470

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-ylsulfanylethyl prop-2-enoate?
The IUPAC name of 2-naphthalen-1-ylsulfanylethyl prop-2-enoate (CID 57077168) is 2-naphthalen-1-ylsulfanylethyl prop-2-enoate.
What is the SMILES notation for 2-naphthalen-1-ylsulfanylethyl prop-2-enoate?
The canonical SMILES for 2-naphthalen-1-ylsulfanylethyl prop-2-enoate is C=CC(=O)OCCSc1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-ylsulfanylethyl prop-2-enoate?
The InChIKey is RYKGTWUEXPSRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c1-2-15(16)17-10-11-18-14-9-5-7-12-6-3-4-8-13(12)14/h2-9H,1,10-11H2.
What are the key properties of 2-naphthalen-1-ylsulfanylethyl prop-2-enoate?
2-naphthalen-1-ylsulfanylethyl prop-2-enoate has a molecular weight of 258.34 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-ylsulfanylethyl prop-2-enoate is sourced from PubChem (CID 57077168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).