methyl (Z)-4-(5-methylthiophen-2-yl)but-3-enoate

C10H12O2S — CID 117267850

IUPACmethyl (Z)-4-(5-methylthiophen-2-yl)but-3-enoate
SMILESCOC(=O)C/C=C\c1ccc(C)s1
InChIInChI=1S/C10H12O2S/c1-8-6-7-9(13-8)4-3-5-10(11)12-2/h3-4,6-7H,5H2,1-2H3/b4-3-
InChIKeyBWVFAVTVTNUVGL-ARJAWSKDSA-N
MW196.27 g/mol
LogP2.63
Rot. Bonds3

About methyl (Z)-4-(5-methylthiophen-2-yl)but-3-enoate

methyl (Z)-4-(5-methylthiophen-2-yl)but-3-enoate (PubChem CID 117267850) has the molecular formula C10H12O2S and a molecular weight of 196.27 g/mol. Its IUPAC name is methyl (Z)-4-(5-methylthiophen-2-yl)but-3-enoate.

Molecular Properties

Compound Namemethyl (Z)-4-(5-methylthiophen-2-yl)but-3-enoate
PubChem CID117267850
Molecular FormulaC10H12O2S
Molecular Weight196.27 g/mol
Exact Mass196.06
IUPAC Namemethyl (Z)-4-(5-methylthiophen-2-yl)but-3-enoate
SMILESCOC(=O)C/C=C\c1ccc(C)s1
InChIInChI=1S/C10H12O2S/c1-8-6-7-9(13-8)4-3-5-10(11)12-2/h3-4,6-7H,5H2,1-2H3/b4-3-
InChIKeyBWVFAVTVTNUVGL-ARJAWSKDSA-N
XLogP2.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(5-formylthiophen-2-yl)but-3-enoate
CID 170500312
methyl 3-[[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]propanoate
CID 47109403
(Z)-3-(5-methylthiophen-2-yl)prop-2-en-1-ol
CID 141415959
methyl 4-(1-benzothiophen-2-yl)but-3-enoate
CID 170501008
methyl 4-(5-methyl-1,3-thiazol-2-yl)but-3-enoate
CID 170500293
methyl 6-(5-methylthiophen-2-yl)hex-3-en-5-ynoate
CID 162855735
tert-butyl N-[4-(5-methylthiophen-2-yl)but-3-enyl]carbamate
CID 170489830
ethyl 4-(5-chlorothiophen-2-yl)but-3-enoate
CID 170795521
ethyl 5-(4-ethoxy-4-oxobut-1-enyl)thiophene-2-carboxylate
CID 170796387
ethyl (E)-3-(5-methylthiophen-2-yl)prop-2-enoate
CID 13145237
3-(5-methylthiophen-2-yl)-N-propylprop-2-en-1-amine
CID 79347136
methyl 4-(2-amino-3-methylphenyl)but-3-enoate
CID 170500603

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-4-(5-methylthiophen-2-yl)but-3-enoate?
The IUPAC name of methyl (Z)-4-(5-methylthiophen-2-yl)but-3-enoate (CID 117267850) is methyl (Z)-4-(5-methylthiophen-2-yl)but-3-enoate.
What is the SMILES notation for methyl (Z)-4-(5-methylthiophen-2-yl)but-3-enoate?
The canonical SMILES for methyl (Z)-4-(5-methylthiophen-2-yl)but-3-enoate is COC(=O)C/C=C\c1ccc(C)s1.
What is the InChIKey of methyl (Z)-4-(5-methylthiophen-2-yl)but-3-enoate?
The InChIKey is BWVFAVTVTNUVGL-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H12O2S/c1-8-6-7-9(13-8)4-3-5-10(11)12-2/h3-4,6-7H,5H2,1-2H3/b4-3-.
What are the key properties of methyl (Z)-4-(5-methylthiophen-2-yl)but-3-enoate?
methyl (Z)-4-(5-methylthiophen-2-yl)but-3-enoate has a molecular weight of 196.27 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-4-(5-methylthiophen-2-yl)but-3-enoate is sourced from PubChem (CID 117267850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).