methyl (2-naphthalen-1-ylcyclopropyl)sulfanylformate

C15H14O2S — CID 88767200

IUPACmethyl (2-naphthalen-1-ylcyclopropyl)sulfanylformate
SMILESCOC(=O)SC1CC1c1cccc2ccccc12
InChIInChI=1S/C15H14O2S/c1-17-15(16)18-14-9-13(14)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,13-14H,9H2,1H3
InChIKeyJCFOZCFHNNYORW-UHFFFAOYSA-N
MW258.34 g/mol
LogP4.20
Rot. Bonds2

About methyl (2-naphthalen-1-ylcyclopropyl)sulfanylformate

methyl (2-naphthalen-1-ylcyclopropyl)sulfanylformate (PubChem CID 88767200) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is methyl (2-naphthalen-1-ylcyclopropyl)sulfanylformate.

Molecular Properties

Compound Namemethyl (2-naphthalen-1-ylcyclopropyl)sulfanylformate
PubChem CID88767200
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Namemethyl (2-naphthalen-1-ylcyclopropyl)sulfanylformate
SMILESCOC(=O)SC1CC1c1cccc2ccccc12
InChIInChI=1S/C15H14O2S/c1-17-15(16)18-14-9-13(14)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,13-14H,9H2,1H3
InChIKeyJCFOZCFHNNYORW-UHFFFAOYSA-N
XLogP4.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 2-naphthalen-1-ylcyclopropane-1,1-dicarboxylate
CID 132540327
methyl 5-naphthalen-1-ylpyrazolidine-3-carboxylate
CID 78292345
cis-methyl (1S,2S)-1-methyl-2-naphthalen-1-ylcyclopropane-1-carboxylate
CID 11184053
5-naphthalen-1-ylbicyclo[2.2.1]hept-2-en-7-ol
CID 155012089
2-naphthalen-1-ylcyclopropan-1-amine
CID 43810345
2-[(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid
CID 119350067
2-[2-methoxyethyl-(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid
CID 119348048
1-[4-[(1S,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 97025073
trans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide
CID 95157526
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide
CID 120891654
trimethyl (2S,3R,4S,5R)-5-naphthalen-1-ylpyrrolidine-2,3,4-tricarboxylate
CID 101216745
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630

Frequently Asked Questions

What is the IUPAC name of methyl (2-naphthalen-1-ylcyclopropyl)sulfanylformate?
The IUPAC name of methyl (2-naphthalen-1-ylcyclopropyl)sulfanylformate (CID 88767200) is methyl (2-naphthalen-1-ylcyclopropyl)sulfanylformate.
What is the SMILES notation for methyl (2-naphthalen-1-ylcyclopropyl)sulfanylformate?
The canonical SMILES for methyl (2-naphthalen-1-ylcyclopropyl)sulfanylformate is COC(=O)SC1CC1c1cccc2ccccc12.
What is the InChIKey of methyl (2-naphthalen-1-ylcyclopropyl)sulfanylformate?
The InChIKey is JCFOZCFHNNYORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c1-17-15(16)18-14-9-13(14)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,13-14H,9H2,1H3.
What are the key properties of methyl (2-naphthalen-1-ylcyclopropyl)sulfanylformate?
methyl (2-naphthalen-1-ylcyclopropyl)sulfanylformate has a molecular weight of 258.34 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2-naphthalen-1-ylcyclopropyl)sulfanylformate is sourced from PubChem (CID 88767200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).