ethyl 4-(2-methylthiophen-3-yl)but-3-enoate

C11H14O2S — CID 170795516

IUPACethyl 4-(2-methylthiophen-3-yl)but-3-enoate
SMILESCCOC(=O)CC=Cc1ccsc1C
InChIInChI=1S/C11H14O2S/c1-3-13-11(12)6-4-5-10-7-8-14-9(10)2/h4-5,7-8H,3,6H2,1-2H3
InChIKeyUAZIGVSWVQPYDV-UHFFFAOYSA-N
MW210.30 g/mol
LogP3.02
Rot. Bonds4

About ethyl 4-(2-methylthiophen-3-yl)but-3-enoate

ethyl 4-(2-methylthiophen-3-yl)but-3-enoate (PubChem CID 170795516) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is ethyl 4-(2-methylthiophen-3-yl)but-3-enoate.

Molecular Properties

Compound Nameethyl 4-(2-methylthiophen-3-yl)but-3-enoate
PubChem CID170795516
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Nameethyl 4-(2-methylthiophen-3-yl)but-3-enoate
SMILESCCOC(=O)CC=Cc1ccsc1C
InChIInChI=1S/C11H14O2S/c1-3-13-11(12)6-4-5-10-7-8-14-9(10)2/h4-5,7-8H,3,6H2,1-2H3
InChIKeyUAZIGVSWVQPYDV-UHFFFAOYSA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(2-methylphenyl)but-3-enoate
CID 86054840
ethyl 4-(2,4-difluorophenyl)but-3-enoate
CID 170795691
ethyl 4-(2,5-dimethylphenyl)but-3-enoate
CID 170795675
ethyl 4-(2-amino-4-methylphenyl)but-3-enoate
CID 170795846
ethyl 4-(5-chloro-2-methylphenyl)but-3-enoate
CID 170795643
ethyl 4-(2-chloro-4-methylphenyl)but-3-enoate
CID 170795653
ethyl 4-(2-amino-4-hydroxyphenyl)but-3-enoate
CID 170795886
(E)-4-(2-methylthiophen-3-yl)but-3-en-1-amine
CID 102838741
ethyl 4-(4-sulfanylphenyl)but-3-enoate
CID 170795544
ethyl 4-(4-ethylphenyl)but-3-enoate
CID 170795670
ethyl 4-(1-hydroxynaphthalen-2-yl)but-3-enoate
CID 54022973
ethyl 4-[2-(2-hydroxyethyl)phenyl]but-3-enoate
CID 170796058

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methylthiophen-3-yl)but-3-enoate?
The IUPAC name of ethyl 4-(2-methylthiophen-3-yl)but-3-enoate (CID 170795516) is ethyl 4-(2-methylthiophen-3-yl)but-3-enoate.
What is the SMILES notation for ethyl 4-(2-methylthiophen-3-yl)but-3-enoate?
The canonical SMILES for ethyl 4-(2-methylthiophen-3-yl)but-3-enoate is CCOC(=O)CC=Cc1ccsc1C.
What is the InChIKey of ethyl 4-(2-methylthiophen-3-yl)but-3-enoate?
The InChIKey is UAZIGVSWVQPYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c1-3-13-11(12)6-4-5-10-7-8-14-9(10)2/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of ethyl 4-(2-methylthiophen-3-yl)but-3-enoate?
ethyl 4-(2-methylthiophen-3-yl)but-3-enoate has a molecular weight of 210.30 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methylthiophen-3-yl)but-3-enoate is sourced from PubChem (CID 170795516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).