O-ethyl 2-naphthalen-2-ylprop-2-enethioate

C15H14OS — CID 159583464

IUPACO-ethyl 2-naphthalen-2-ylprop-2-enethioate
SMILESC=C(C(=S)OCC)c1ccc2ccccc2c1
InChIInChI=1S/C15H14OS/c1-3-16-15(17)11(2)13-9-8-12-6-4-5-7-14(12)10-13/h4-10H,2-3H2,1H3
InChIKeyMJHUJGXCTLRFAQ-UHFFFAOYSA-N
MW242.34 g/mol
LogP4.22
Rot. Bonds3

About O-ethyl 2-naphthalen-2-ylprop-2-enethioate

O-ethyl 2-naphthalen-2-ylprop-2-enethioate (PubChem CID 159583464) has the molecular formula C15H14OS and a molecular weight of 242.34 g/mol. Its IUPAC name is O-ethyl 2-naphthalen-2-ylprop-2-enethioate.

Molecular Properties

Compound NameO-ethyl 2-naphthalen-2-ylprop-2-enethioate
PubChem CID159583464
Molecular FormulaC15H14OS
Molecular Weight242.34 g/mol
Exact Mass242.08
IUPAC NameO-ethyl 2-naphthalen-2-ylprop-2-enethioate
SMILESC=C(C(=S)OCC)c1ccc2ccccc2c1
InChIInChI=1S/C15H14OS/c1-3-16-15(17)11(2)13-9-8-12-6-4-5-7-14(12)10-13/h4-10H,2-3H2,1H3
InChIKeyMJHUJGXCTLRFAQ-UHFFFAOYSA-N
XLogP4.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1E)-1-chloro-1-ethoxypenta-1,4-dien-2-yl]naphthalene
CID 135004931
ethyl 2-(naphthalene-2-carbonylamino)prop-2-enoate
CID 167435011
CID 175020259
CID 175020259
ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 43007593
ethane;N-ethylnaphthalene-2-carboxamide;ethyl naphthalene-2-carboxylate
CID 144557460
anthracene;ethyl 2-methylprop-2-enoate
CID 126715245
2-(1-propan-2-yloxyethenyl)naphthalene
CID 157040418
ethyl (Z)-5-(6-hydroxynaphthalen-2-yl)-3-naphthalen-2-ylpent-2-enoate
CID 67357334
ethyl (2E,4E,6Z)-3-methyl-7-naphthalen-2-ylocta-2,4,6-trienoate
CID 88629687
6-naphthalen-2-ylhept-6-en-3-one
CID 102346591
ethane;naphthalene-2-carboxylic acid;propane
CID 143443534
propanoyl naphthalene-2-carboxylate
CID 118192395

Frequently Asked Questions

What is the IUPAC name of O-ethyl 2-naphthalen-2-ylprop-2-enethioate?
The IUPAC name of O-ethyl 2-naphthalen-2-ylprop-2-enethioate (CID 159583464) is O-ethyl 2-naphthalen-2-ylprop-2-enethioate.
What is the SMILES notation for O-ethyl 2-naphthalen-2-ylprop-2-enethioate?
The canonical SMILES for O-ethyl 2-naphthalen-2-ylprop-2-enethioate is C=C(C(=S)OCC)c1ccc2ccccc2c1.
What is the InChIKey of O-ethyl 2-naphthalen-2-ylprop-2-enethioate?
The InChIKey is MJHUJGXCTLRFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14OS/c1-3-16-15(17)11(2)13-9-8-12-6-4-5-7-14(12)10-13/h4-10H,2-3H2,1H3.
What are the key properties of O-ethyl 2-naphthalen-2-ylprop-2-enethioate?
O-ethyl 2-naphthalen-2-ylprop-2-enethioate has a molecular weight of 242.34 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-ethyl 2-naphthalen-2-ylprop-2-enethioate is sourced from PubChem (CID 159583464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).