2-methyl-3-thiophen-3-ylprop-2-enal

C8H8OS — CID 79330495

IUPAC2-methyl-3-thiophen-3-ylprop-2-enal
SMILESCC(C=O)=Cc1ccsc1
InChIInChI=1S/C8H8OS/c1-7(5-9)4-8-2-3-10-6-8/h2-6H,1H3
InChIKeyNTMIBBKZXWBQEQ-UHFFFAOYSA-N
MW152.22 g/mol
LogP2.35
Rot. Bonds2

About 2-methyl-3-thiophen-3-ylprop-2-enal

2-methyl-3-thiophen-3-ylprop-2-enal (PubChem CID 79330495) has the molecular formula C8H8OS and a molecular weight of 152.22 g/mol. Its IUPAC name is 2-methyl-3-thiophen-3-ylprop-2-enal.

Molecular Properties

Compound Name2-methyl-3-thiophen-3-ylprop-2-enal
PubChem CID79330495
Molecular FormulaC8H8OS
Molecular Weight152.22 g/mol
Exact Mass152.03
IUPAC Name2-methyl-3-thiophen-3-ylprop-2-enal
SMILESCC(C=O)=Cc1ccsc1
InChIInChI=1S/C8H8OS/c1-7(5-9)4-8-2-3-10-6-8/h2-6H,1H3
InChIKeyNTMIBBKZXWBQEQ-UHFFFAOYSA-N
XLogP2.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(Thiophen-3-yl)methylidene]butanal
CID 124511780
(2E,4E,6E,8E)-3,7-dimethyl-9-thiophen-3-ylnona-2,4,6,8-tetraenal
CID 44286715
e-2-Methyl-3-(2-thienyl)-propenal
CID 10855658
3-(Thiophen-3-yl)prop-2-enal
CID 11643938
(E)-3-thiophen-2-ylbut-2-enal
CID 15948070
(Z)-3-chloro-3-(thiophen-3-yl)acrylaldehyde
CID 49651899
(E)-2-methyl-3-thiophen-3-ylprop-2-enal
CID 12477287
(Z)-2-methyl-3-thiophen-2-ylprop-2-enal
CID 57783213
(E)-2-methyl-3-(5-methylthiophen-2-yl)prop-2-enal
CID 15080954
2-Methyl-3-(2-thienyl)propenal
CID 71372833
S-ethyl (E)-3-thiophen-3-ylprop-2-enethioate
CID 154718964
(E)-2-fluoro-3-thiophen-3-ylprop-2-enal
CID 46188442

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-thiophen-3-ylprop-2-enal?
The IUPAC name of 2-methyl-3-thiophen-3-ylprop-2-enal (CID 79330495) is 2-methyl-3-thiophen-3-ylprop-2-enal.
What is the SMILES notation for 2-methyl-3-thiophen-3-ylprop-2-enal?
The canonical SMILES for 2-methyl-3-thiophen-3-ylprop-2-enal is CC(C=O)=Cc1ccsc1.
What is the InChIKey of 2-methyl-3-thiophen-3-ylprop-2-enal?
The InChIKey is NTMIBBKZXWBQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8OS/c1-7(5-9)4-8-2-3-10-6-8/h2-6H,1H3.
What are the key properties of 2-methyl-3-thiophen-3-ylprop-2-enal?
2-methyl-3-thiophen-3-ylprop-2-enal has a molecular weight of 152.22 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-thiophen-3-ylprop-2-enal is sourced from PubChem (CID 79330495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).