methyl 1-(2-ethylsulfanylphenyl)cyclopropane-1-carboxylate

C13H16O2S — CID 105498151

IUPACmethyl 1-(2-ethylsulfanylphenyl)cyclopropane-1-carboxylate
SMILESCCSc1ccccc1C1(C(=O)OC)CC1
InChIInChI=1S/C13H16O2S/c1-3-16-11-7-5-4-6-10(11)13(8-9-13)12(14)15-2/h4-7H,3,8-9H2,1-2H3
InChIKeyAYZWOCHBGNZTOH-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.00
Rot. Bonds4

About methyl 1-(2-ethylsulfanylphenyl)cyclopropane-1-carboxylate

methyl 1-(2-ethylsulfanylphenyl)cyclopropane-1-carboxylate (PubChem CID 105498151) has the molecular formula C13H16O2S and a molecular weight of 236.34 g/mol. Its IUPAC name is methyl 1-(2-ethylsulfanylphenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-ethylsulfanylphenyl)cyclopropane-1-carboxylate
PubChem CID105498151
Molecular FormulaC13H16O2S
Molecular Weight236.34 g/mol
Exact Mass236.09
IUPAC Namemethyl 1-(2-ethylsulfanylphenyl)cyclopropane-1-carboxylate
SMILESCCSc1ccccc1C1(C(=O)OC)CC1
InChIInChI=1S/C13H16O2S/c1-3-16-11-7-5-4-6-10(11)13(8-9-13)12(14)15-2/h4-7H,3,8-9H2,1-2H3
InChIKeyAYZWOCHBGNZTOH-UHFFFAOYSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-ethylsulfanylphenyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(2-ethylsulfanylphenyl)cyclopropane-1-carboxylate (CID 105498151) is methyl 1-(2-ethylsulfanylphenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(2-ethylsulfanylphenyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(2-ethylsulfanylphenyl)cyclopropane-1-carboxylate is CCSc1ccccc1C1(C(=O)OC)CC1.
What is the InChIKey of methyl 1-(2-ethylsulfanylphenyl)cyclopropane-1-carboxylate?
The InChIKey is AYZWOCHBGNZTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2S/c1-3-16-11-7-5-4-6-10(11)13(8-9-13)12(14)15-2/h4-7H,3,8-9H2,1-2H3.
What are the key properties of methyl 1-(2-ethylsulfanylphenyl)cyclopropane-1-carboxylate?
methyl 1-(2-ethylsulfanylphenyl)cyclopropane-1-carboxylate has a molecular weight of 236.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-ethylsulfanylphenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 105498151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).