methyl 3-(2-methylfuran-3-yl)sulfanylbutanoate

C10H14O3S — CID 107779007

IUPACmethyl 3-(2-methylfuran-3-yl)sulfanylbutanoate
SMILESCOC(=O)CC(C)Sc1ccoc1C
InChIInChI=1S/C10H14O3S/c1-7(6-10(11)12-3)14-9-4-5-13-8(9)2/h4-5,7H,6H2,1-3H3
InChIKeyUVCNIZVORVSJCC-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.63
Rot. Bonds4

About methyl 3-(2-methylfuran-3-yl)sulfanylbutanoate

methyl 3-(2-methylfuran-3-yl)sulfanylbutanoate (PubChem CID 107779007) has the molecular formula C10H14O3S and a molecular weight of 214.29 g/mol. Its IUPAC name is methyl 3-(2-methylfuran-3-yl)sulfanylbutanoate.

Molecular Properties

Compound Namemethyl 3-(2-methylfuran-3-yl)sulfanylbutanoate
PubChem CID107779007
Molecular FormulaC10H14O3S
Molecular Weight214.29 g/mol
Exact Mass214.07
IUPAC Namemethyl 3-(2-methylfuran-3-yl)sulfanylbutanoate
SMILESCOC(=O)CC(C)Sc1ccoc1C
InChIInChI=1S/C10H14O3S/c1-7(6-10(11)12-3)14-9-4-5-13-8(9)2/h4-5,7H,6H2,1-3H3
InChIKeyUVCNIZVORVSJCC-UHFFFAOYSA-N
XLogP2.63
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-2-methyl-4-(2-methylfuran-3-yl)sulfanylpentanoate
CID 107782174
methyl 3-furo[3,2-c]pyridin-4-ylsulfanylbutanoate
CID 106535038
methyl 3-phenylsulfanylbutanoate
CID 10750953
methyl 3-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanoate
CID 4992492
methyl 3-(5,6-dimethylpyrazin-2-yl)sulfanylbutanoate
CID 114474956
(2R)-N-butyl-2-(2-methylfuran-3-yl)sulfanylpropanamide
CID 99630869
3-methyl-N-[2-(2-methylfuran-3-yl)sulfanylpropyl]butan-1-amine
CID 107782618
methyl 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]butanoate
CID 114448569
methyl 3-(4-methoxypyrimidin-2-yl)sulfanylbutanoate
CID 103670630
methyl 3-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]butanoate
CID 114570709
methyl 3-(4-chloro-2-cyanophenyl)sulfanylbutanoate
CID 66115308
methyl 3-[(5-amino-2-pyridinyl)sulfanyl]butanoate
CID 61318239

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methylfuran-3-yl)sulfanylbutanoate?
The IUPAC name of methyl 3-(2-methylfuran-3-yl)sulfanylbutanoate (CID 107779007) is methyl 3-(2-methylfuran-3-yl)sulfanylbutanoate.
What is the SMILES notation for methyl 3-(2-methylfuran-3-yl)sulfanylbutanoate?
The canonical SMILES for methyl 3-(2-methylfuran-3-yl)sulfanylbutanoate is COC(=O)CC(C)Sc1ccoc1C.
What is the InChIKey of methyl 3-(2-methylfuran-3-yl)sulfanylbutanoate?
The InChIKey is UVCNIZVORVSJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3S/c1-7(6-10(11)12-3)14-9-4-5-13-8(9)2/h4-5,7H,6H2,1-3H3.
What are the key properties of methyl 3-(2-methylfuran-3-yl)sulfanylbutanoate?
methyl 3-(2-methylfuran-3-yl)sulfanylbutanoate has a molecular weight of 214.29 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methylfuran-3-yl)sulfanylbutanoate is sourced from PubChem (CID 107779007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).