methyl 5-ethylsulfinylfuran-2-carboxylate

C8H10O4S — CID 163367683

IUPACmethyl 5-ethylsulfinylfuran-2-carboxylate
SMILESCCS(=O)c1ccc(C(=O)OC)o1
InChIInChI=1S/C8H10O4S/c1-3-13(10)7-5-4-6(12-7)8(9)11-2/h4-5H,3H2,1-2H3
InChIKeyJENZMMZVCNZXLY-UHFFFAOYSA-N
MW202.23 g/mol
LogP1.19
Rot. Bonds3

About methyl 5-ethylsulfinylfuran-2-carboxylate

methyl 5-ethylsulfinylfuran-2-carboxylate (PubChem CID 163367683) has the molecular formula C8H10O4S and a molecular weight of 202.23 g/mol. Its IUPAC name is methyl 5-ethylsulfinylfuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethylsulfinylfuran-2-carboxylate
PubChem CID163367683
Molecular FormulaC8H10O4S
Molecular Weight202.23 g/mol
Exact Mass202.03
IUPAC Namemethyl 5-ethylsulfinylfuran-2-carboxylate
SMILESCCS(=O)c1ccc(C(=O)OC)o1
InChIInChI=1S/C8H10O4S/c1-3-13(10)7-5-4-6(12-7)8(9)11-2/h4-5H,3H2,1-2H3
InChIKeyJENZMMZVCNZXLY-UHFFFAOYSA-N
XLogP1.19
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-methylsulfinylfuran-2-carboxylate
CID 163367642
dimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid
CID 141444077
5-methoxycarbonylfuran-2-carboxylic acid
CID 11435181
methyl 5-[(1R)-1-hydroxypropyl]furan-2-carboxylate
CID 82758761
methyl 5-(ethoxymethyl)furan-2-carboxylate
CID 4193919
ethane;methyl 5-pent-2-en-2-ylfuran-2-carboxylate
CID 91473500
methyl 5-[(ethoxyamino)methyl]furan-2-carboxylate
CID 115279422
methyl 5-(1-propylsulfanylethyl)furan-2-carboxylate
CID 79083901
(5-methoxycarbonylfuran-2-yl)methanetriolate
CID 59286378
methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride
CID 86812264
methyl 5-(1-butylsulfanylethyl)furan-2-carboxylate
CID 112726651
methyl 5-(4-hydroxybut-2-en-2-yl)furan-2-carboxylate
CID 163195882

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethylsulfinylfuran-2-carboxylate?
The IUPAC name of methyl 5-ethylsulfinylfuran-2-carboxylate (CID 163367683) is methyl 5-ethylsulfinylfuran-2-carboxylate.
What is the SMILES notation for methyl 5-ethylsulfinylfuran-2-carboxylate?
The canonical SMILES for methyl 5-ethylsulfinylfuran-2-carboxylate is CCS(=O)c1ccc(C(=O)OC)o1.
What is the InChIKey of methyl 5-ethylsulfinylfuran-2-carboxylate?
The InChIKey is JENZMMZVCNZXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4S/c1-3-13(10)7-5-4-6(12-7)8(9)11-2/h4-5H,3H2,1-2H3.
What are the key properties of methyl 5-ethylsulfinylfuran-2-carboxylate?
methyl 5-ethylsulfinylfuran-2-carboxylate has a molecular weight of 202.23 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethylsulfinylfuran-2-carboxylate is sourced from PubChem (CID 163367683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).