(Z)-3-hydroxy-2-thiophen-2-ylprop-2-enal

C7H6O2S — CID 119093865

IUPAC(Z)-3-hydroxy-2-thiophen-2-ylprop-2-enal
SMILESO=C/C(=C/O)c1cccs1
InChIInChI=1S/C7H6O2S/c8-4-6(5-9)7-2-1-3-10-7/h1-5,8H/b6-4-
InChIKeyYRSWTZLRQVGCKD-XQRVVYSFSA-N
MW154.19 g/mol
LogP1.85
Rot. Bonds2

About (Z)-3-hydroxy-2-thiophen-2-ylprop-2-enal

(Z)-3-hydroxy-2-thiophen-2-ylprop-2-enal (PubChem CID 119093865) has the molecular formula C7H6O2S and a molecular weight of 154.19 g/mol. Its IUPAC name is (Z)-3-hydroxy-2-thiophen-2-ylprop-2-enal.

Molecular Properties

Compound Name(Z)-3-hydroxy-2-thiophen-2-ylprop-2-enal
PubChem CID119093865
Molecular FormulaC7H6O2S
Molecular Weight154.19 g/mol
Exact Mass154.01
IUPAC Name(Z)-3-hydroxy-2-thiophen-2-ylprop-2-enal
SMILESO=C/C(=C/O)c1cccs1
InChIInChI=1S/C7H6O2S/c8-4-6(5-9)7-2-1-3-10-7/h1-5,8H/b6-4-
InChIKeyYRSWTZLRQVGCKD-XQRVVYSFSA-N
XLogP1.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-thiophen-2-ylbut-2-enedial
CID 12654453
2-oxo-2-thiophen-2-ylacetaldehyde
CID 5272214
formic acid;thiophene-2-carboxamide
CID 118356394
(Z)-3-hydroxy-2-thiophen-2-ylprop-2-enenitrile
CID 98114034
thiophene-2-carboxylic acid;dihydrochloride
CID 142681507
3-chloro-2-phenyl-3-thiophen-2-ylprop-2-enal
CID 142762455
2-[chloro(thiophen-2-yl)methylidene]butanal
CID 53423304
N-formylthiophene-2-carboxamide
CID 2771336
2-[(2Z,4E)-hexa-2,4-dien-3-yl]thiophene
CID 170081340
(E)-3-chloro-3-thiophen-2-ylprop-2-enal
CID 79002205
2-(1,2,2-trithiophen-2-ylethenyl)thiophene
CID 15249530
3,3-bis(methylsulfanyl)-2-thiophen-2-ylprop-2-enal
CID 135084613

Frequently Asked Questions

What is the IUPAC name of (Z)-3-hydroxy-2-thiophen-2-ylprop-2-enal?
The IUPAC name of (Z)-3-hydroxy-2-thiophen-2-ylprop-2-enal (CID 119093865) is (Z)-3-hydroxy-2-thiophen-2-ylprop-2-enal.
What is the SMILES notation for (Z)-3-hydroxy-2-thiophen-2-ylprop-2-enal?
The canonical SMILES for (Z)-3-hydroxy-2-thiophen-2-ylprop-2-enal is O=C/C(=C/O)c1cccs1.
What is the InChIKey of (Z)-3-hydroxy-2-thiophen-2-ylprop-2-enal?
The InChIKey is YRSWTZLRQVGCKD-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H6O2S/c8-4-6(5-9)7-2-1-3-10-7/h1-5,8H/b6-4-.
What are the key properties of (Z)-3-hydroxy-2-thiophen-2-ylprop-2-enal?
(Z)-3-hydroxy-2-thiophen-2-ylprop-2-enal has a molecular weight of 154.19 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-hydroxy-2-thiophen-2-ylprop-2-enal is sourced from PubChem (CID 119093865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).