(E)-3-(3-methylthiophen-2-yl)-2-thiophen-2-ylprop-2-enoic acid

C12H10O2S2 — CID 43343993

IUPAC(E)-3-(3-methylthiophen-2-yl)-2-thiophen-2-ylprop-2-enoic acid
SMILESCc1ccsc1/C=C(\C(=O)O)c1cccs1
InChIInChI=1S/C12H10O2S2/c1-8-4-6-16-11(8)7-9(12(13)14)10-3-2-5-15-10/h2-7H,1H3,(H,13,14)/b9-7-
InChIKeyHQDFHYIBRSLZEO-CLFYSBASSA-N
MW250.34 g/mol
LogP3.74
Rot. Bonds3

About (E)-3-(3-methylthiophen-2-yl)-2-thiophen-2-ylprop-2-enoic acid

(E)-3-(3-methylthiophen-2-yl)-2-thiophen-2-ylprop-2-enoic acid (PubChem CID 43343993) has the molecular formula C12H10O2S2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (E)-3-(3-methylthiophen-2-yl)-2-thiophen-2-ylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(3-methylthiophen-2-yl)-2-thiophen-2-ylprop-2-enoic acid
PubChem CID43343993
Molecular FormulaC12H10O2S2
Molecular Weight250.34 g/mol
Exact Mass250.01
IUPAC Name(E)-3-(3-methylthiophen-2-yl)-2-thiophen-2-ylprop-2-enoic acid
SMILESCc1ccsc1/C=C(\C(=O)O)c1cccs1
InChIInChI=1S/C12H10O2S2/c1-8-4-6-16-11(8)7-9(12(13)14)10-3-2-5-15-10/h2-7H,1H3,(H,13,14)/b9-7-
InChIKeyHQDFHYIBRSLZEO-CLFYSBASSA-N
XLogP3.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-chlorophenyl)-2-thiophen-2-ylprop-2-enoic acid
CID 43244503
(E)-3-(2,3,4,5,6-pentafluorophenyl)-2-thiophen-2-ylprop-2-enoic acid
CID 43169990
(E)-3-(1-methylpyrrol-2-yl)-2-thiophen-2-ylprop-2-enoic acid
CID 43350577
(Z)-2-(4-methoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enoic acid
CID 83951656
(Z)-3-(4-methoxyphenyl)-2-thiophen-2-ylprop-2-enoic acid
CID 6390190
(Z)-3-(2,3-dichlorophenyl)-2-thiophen-2-ylprop-2-enoic acid
CID 2361301
(Z)-3-(4-methylsulfanylphenyl)-2-thiophen-2-ylprop-2-enoic acid
CID 70201562
(Z)-3-[4-(3,4-dimethylphenoxy)phenyl]-2-thiophen-2-ylprop-2-enoic acid
CID 20992525
(E)-3-(3,5-dichlorophenyl)-2-thiophen-2-ylprop-2-enoic acid
CID 60789884
(E)-3-(4,5-dimethoxy-2-nitrophenyl)-2-thiophen-2-ylprop-2-enoic acid
CID 112720405
(E)-3-(2-chloro-5-nitrophenyl)-2-thiophen-2-ylprop-2-enoic acid
CID 43352781
(E)-3-[4-(4-chloro-3-methylphenoxy)phenyl]-2-thiophen-2-ylprop-2-enoic acid
CID 20985018

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methylthiophen-2-yl)-2-thiophen-2-ylprop-2-enoic acid?
The IUPAC name of (E)-3-(3-methylthiophen-2-yl)-2-thiophen-2-ylprop-2-enoic acid (CID 43343993) is (E)-3-(3-methylthiophen-2-yl)-2-thiophen-2-ylprop-2-enoic acid.
What is the SMILES notation for (E)-3-(3-methylthiophen-2-yl)-2-thiophen-2-ylprop-2-enoic acid?
The canonical SMILES for (E)-3-(3-methylthiophen-2-yl)-2-thiophen-2-ylprop-2-enoic acid is Cc1ccsc1/C=C(\C(=O)O)c1cccs1.
What is the InChIKey of (E)-3-(3-methylthiophen-2-yl)-2-thiophen-2-ylprop-2-enoic acid?
The InChIKey is HQDFHYIBRSLZEO-CLFYSBASSA-N. The full InChI is InChI=1S/C12H10O2S2/c1-8-4-6-16-11(8)7-9(12(13)14)10-3-2-5-15-10/h2-7H,1H3,(H,13,14)/b9-7-.
What are the key properties of (E)-3-(3-methylthiophen-2-yl)-2-thiophen-2-ylprop-2-enoic acid?
(E)-3-(3-methylthiophen-2-yl)-2-thiophen-2-ylprop-2-enoic acid has a molecular weight of 250.34 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methylthiophen-2-yl)-2-thiophen-2-ylprop-2-enoic acid is sourced from PubChem (CID 43343993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).