(4-ethenylphenyl)methyl 4-methylsulfanylthiophene-3-carboxylate

C15H14O2S2 — CID 172538905

IUPAC(4-ethenylphenyl)methyl 4-methylsulfanylthiophene-3-carboxylate
SMILESC=Cc1ccc(COC(=O)c2cscc2SC)cc1
InChIInChI=1S/C15H14O2S2/c1-3-11-4-6-12(7-5-11)8-17-15(16)13-9-19-10-14(13)18-2/h3-7,9-10H,1,8H2,2H3
InChIKeySHNBKDSDDAXPOB-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.47
Rot. Bonds5

About (4-ethenylphenyl)methyl 4-methylsulfanylthiophene-3-carboxylate

(4-ethenylphenyl)methyl 4-methylsulfanylthiophene-3-carboxylate (PubChem CID 172538905) has the molecular formula C15H14O2S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (4-ethenylphenyl)methyl 4-methylsulfanylthiophene-3-carboxylate.

Molecular Properties

Compound Name(4-ethenylphenyl)methyl 4-methylsulfanylthiophene-3-carboxylate
PubChem CID172538905
Molecular FormulaC15H14O2S2
Molecular Weight290.41 g/mol
Exact Mass290.04
IUPAC Name(4-ethenylphenyl)methyl 4-methylsulfanylthiophene-3-carboxylate
SMILESC=Cc1ccc(COC(=O)c2cscc2SC)cc1
InChIInChI=1S/C15H14O2S2/c1-3-11-4-6-12(7-5-11)8-17-15(16)13-9-19-10-14(13)18-2/h3-7,9-10H,1,8H2,2H3
InChIKeySHNBKDSDDAXPOB-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis[(4-ethenylphenyl)methyl] 2,5-diacetylbenzene-1,4-dicarboxylate
CID 164789063
(4-ethenylphenyl)methyl 5-acetylthiophene-2-carboxylate
CID 172538888
bis[(4-ethenylphenyl)methyl] benzene-1,3-dicarboxylate
CID 71422704
2-[(4-ethenylphenyl)methoxycarbonyl]terephthalic acid
CID 54141811
(4-ethenylphenyl)methyl 2-methylprop-2-enoate
CID 14794067
bis[(4-ethenylphenyl)methyl] hexanedioate
CID 23558427
(4-ethenylphenyl)methyl 4-(ethylamino)benzoate
CID 89090655
(4-ethenylphenyl) acetate;(4-ethenylphenyl)methyl acetate
CID 158634660
(2S)-2-amino-4-[(4-ethenylphenyl)methoxy]-4-oxobutanoic acid
CID 102125035
(4-ethenylphenyl)methyl 2,2-dimethylbutanoate
CID 20764938
(4-ethenylphenyl)methyl 4-azidobenzoate
CID 138593704
(4-ethenylphenyl)methyl 2,3,3-trimethyl-2-propan-2-ylbutanoate
CID 89207567

Frequently Asked Questions

What is the IUPAC name of (4-ethenylphenyl)methyl 4-methylsulfanylthiophene-3-carboxylate?
The IUPAC name of (4-ethenylphenyl)methyl 4-methylsulfanylthiophene-3-carboxylate (CID 172538905) is (4-ethenylphenyl)methyl 4-methylsulfanylthiophene-3-carboxylate.
What is the SMILES notation for (4-ethenylphenyl)methyl 4-methylsulfanylthiophene-3-carboxylate?
The canonical SMILES for (4-ethenylphenyl)methyl 4-methylsulfanylthiophene-3-carboxylate is C=Cc1ccc(COC(=O)c2cscc2SC)cc1.
What is the InChIKey of (4-ethenylphenyl)methyl 4-methylsulfanylthiophene-3-carboxylate?
The InChIKey is SHNBKDSDDAXPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S2/c1-3-11-4-6-12(7-5-11)8-17-15(16)13-9-19-10-14(13)18-2/h3-7,9-10H,1,8H2,2H3.
What are the key properties of (4-ethenylphenyl)methyl 4-methylsulfanylthiophene-3-carboxylate?
(4-ethenylphenyl)methyl 4-methylsulfanylthiophene-3-carboxylate has a molecular weight of 290.41 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylphenyl)methyl 4-methylsulfanylthiophene-3-carboxylate is sourced from PubChem (CID 172538905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).