methyl 3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enoate

C12H10O2S2 — CID 169479932

IUPACmethyl 3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enoate
SMILESCOC(=O)C=Cc1ccc(-c2cccs2)s1
InChIInChI=1S/C12H10O2S2/c1-14-12(13)7-5-9-4-6-11(16-9)10-3-2-8-15-10/h2-8H,1H3
InChIKeyDMFQXKKQSOXQFC-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.66
Rot. Bonds3

About methyl 3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enoate

methyl 3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enoate (PubChem CID 169479932) has the molecular formula C12H10O2S2 and a molecular weight of 250.34 g/mol. Its IUPAC name is methyl 3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enoate
PubChem CID169479932
Molecular FormulaC12H10O2S2
Molecular Weight250.34 g/mol
Exact Mass250.01
IUPAC Namemethyl 3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enoate
SMILESCOC(=O)C=Cc1ccc(-c2cccs2)s1
InChIInChI=1S/C12H10O2S2/c1-14-12(13)7-5-9-4-6-11(16-9)10-3-2-8-15-10/h2-8H,1H3
InChIKeyDMFQXKKQSOXQFC-UHFFFAOYSA-N
XLogP3.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enoate?
The IUPAC name of methyl 3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enoate (CID 169479932) is methyl 3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enoate.
What is the SMILES notation for methyl 3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enoate?
The canonical SMILES for methyl 3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enoate is COC(=O)C=Cc1ccc(-c2cccs2)s1.
What is the InChIKey of methyl 3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enoate?
The InChIKey is DMFQXKKQSOXQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2S2/c1-14-12(13)7-5-9-4-6-11(16-9)10-3-2-8-15-10/h2-8H,1H3.
What are the key properties of methyl 3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enoate?
methyl 3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enoate has a molecular weight of 250.34 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enoate is sourced from PubChem (CID 169479932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).