S-(1-ethenylnaphthalen-2-yl) ethanethioate

C14H12OS — CID 139751971

IUPACS-(1-ethenylnaphthalen-2-yl) ethanethioate
SMILESC=Cc1c(SC(C)=O)ccc2ccccc12
InChIInChI=1S/C14H12OS/c1-3-12-13-7-5-4-6-11(13)8-9-14(12)16-10(2)15/h3-9H,1H2,2H3
InChIKeyRCLXQZPSLUMAOH-UHFFFAOYSA-N
MW228.32 g/mol
LogP4.12
Rot. Bonds2

About S-(1-ethenylnaphthalen-2-yl) ethanethioate

S-(1-ethenylnaphthalen-2-yl) ethanethioate (PubChem CID 139751971) has the molecular formula C14H12OS and a molecular weight of 228.32 g/mol. Its IUPAC name is S-(1-ethenylnaphthalen-2-yl) ethanethioate.

Molecular Properties

Compound NameS-(1-ethenylnaphthalen-2-yl) ethanethioate
PubChem CID139751971
Molecular FormulaC14H12OS
Molecular Weight228.32 g/mol
Exact Mass228.06
IUPAC NameS-(1-ethenylnaphthalen-2-yl) ethanethioate
SMILESC=Cc1c(SC(C)=O)ccc2ccccc12
InChIInChI=1S/C14H12OS/c1-3-12-13-7-5-4-6-11(13)8-9-14(12)16-10(2)15/h3-9H,1H2,2H3
InChIKeyRCLXQZPSLUMAOH-UHFFFAOYSA-N
XLogP4.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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acetic acid;ethane;bis(1-ethenylnaphthalene)
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1-ethenyl-N,N-dimethylnaphthalen-2-amine
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acetic acid;chrysene
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S-(3-anthracen-9-ylprop-2-enyl) ethanethioate
CID 169458206
2-ethenyl-3-ethylnaphthalen-1-ol
CID 91051523
N-methyl-1-(2-methylsulfanylnaphthalen-1-yl)methanimine oxide
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1-ethenyl-2-methylphenanthrene
CID 18927842
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CID 169457992

Frequently Asked Questions

What is the IUPAC name of S-(1-ethenylnaphthalen-2-yl) ethanethioate?
The IUPAC name of S-(1-ethenylnaphthalen-2-yl) ethanethioate (CID 139751971) is S-(1-ethenylnaphthalen-2-yl) ethanethioate.
What is the SMILES notation for S-(1-ethenylnaphthalen-2-yl) ethanethioate?
The canonical SMILES for S-(1-ethenylnaphthalen-2-yl) ethanethioate is C=Cc1c(SC(C)=O)ccc2ccccc12.
What is the InChIKey of S-(1-ethenylnaphthalen-2-yl) ethanethioate?
The InChIKey is RCLXQZPSLUMAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12OS/c1-3-12-13-7-5-4-6-11(13)8-9-14(12)16-10(2)15/h3-9H,1H2,2H3.
What are the key properties of S-(1-ethenylnaphthalen-2-yl) ethanethioate?
S-(1-ethenylnaphthalen-2-yl) ethanethioate has a molecular weight of 228.32 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-(1-ethenylnaphthalen-2-yl) ethanethioate is sourced from PubChem (CID 139751971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).