2-sulfanylideneethyl 2-naphthalen-1-ylprop-2-enoate

C15H12O2S — CID 90865216

IUPAC2-sulfanylideneethyl 2-naphthalen-1-ylprop-2-enoate
SMILESC=C(C(=O)OCC=S)c1cccc2ccccc12
InChIInChI=1S/C15H12O2S/c1-11(15(16)17-9-10-18)13-8-4-6-12-5-2-3-7-14(12)13/h2-8,10H,1,9H2
InChIKeyNRGYOOYJBTYSAC-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.40
Rot. Bonds4

About 2-sulfanylideneethyl 2-naphthalen-1-ylprop-2-enoate

2-sulfanylideneethyl 2-naphthalen-1-ylprop-2-enoate (PubChem CID 90865216) has the molecular formula C15H12O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-sulfanylideneethyl 2-naphthalen-1-ylprop-2-enoate.

Molecular Properties

Compound Name2-sulfanylideneethyl 2-naphthalen-1-ylprop-2-enoate
PubChem CID90865216
Molecular FormulaC15H12O2S
Molecular Weight256.33 g/mol
Exact Mass256.06
IUPAC Name2-sulfanylideneethyl 2-naphthalen-1-ylprop-2-enoate
SMILESC=C(C(=O)OCC=S)c1cccc2ccccc12
InChIInChI=1S/C15H12O2S/c1-11(15(16)17-9-10-18)13-8-4-6-12-5-2-3-7-14(12)13/h2-8,10H,1,9H2
InChIKeyNRGYOOYJBTYSAC-UHFFFAOYSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-naphthalen-1-ylprop-2-enoate;2-naphthalen-1-ylprop-2-enoic acid
CID 162045658
N-prop-2-enoxynaphthalene-1-carboxamide
CID 71365701
CID 129133768
CID 129133768
naphthalene-1-carbonitrile;naphthalene-1-carboxamide
CID 158583928
2-methylprop-2-enyl naphthalene-1-carboxylate
CID 22594823
1-naphthalen-1-ylbut-3-en-1-one
CID 11030731
[(E)-but-2-enyl] naphthalene-1-carboxylate
CID 15424069
methyl 3-methoxy-2-naphthalen-1-ylprop-2-enoate
CID 57075393
ethyl 2-(4-formylnaphthalen-1-yl)prop-2-enoate
CID 87417238
naphthalen-1-yl 2-prop-2-enoxyprop-2-enoate
CID 176885863
magnesium;2-methylprop-2-enoate;naphthalene-1-carboxylate
CID 22987477
cyanomethyl naphthalene-1-carboxylate
CID 2477503

Frequently Asked Questions

What is the IUPAC name of 2-sulfanylideneethyl 2-naphthalen-1-ylprop-2-enoate?
The IUPAC name of 2-sulfanylideneethyl 2-naphthalen-1-ylprop-2-enoate (CID 90865216) is 2-sulfanylideneethyl 2-naphthalen-1-ylprop-2-enoate.
What is the SMILES notation for 2-sulfanylideneethyl 2-naphthalen-1-ylprop-2-enoate?
The canonical SMILES for 2-sulfanylideneethyl 2-naphthalen-1-ylprop-2-enoate is C=C(C(=O)OCC=S)c1cccc2ccccc12.
What is the InChIKey of 2-sulfanylideneethyl 2-naphthalen-1-ylprop-2-enoate?
The InChIKey is NRGYOOYJBTYSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2S/c1-11(15(16)17-9-10-18)13-8-4-6-12-5-2-3-7-14(12)13/h2-8,10H,1,9H2.
What are the key properties of 2-sulfanylideneethyl 2-naphthalen-1-ylprop-2-enoate?
2-sulfanylideneethyl 2-naphthalen-1-ylprop-2-enoate has a molecular weight of 256.33 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylideneethyl 2-naphthalen-1-ylprop-2-enoate is sourced from PubChem (CID 90865216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).