4,5-Dimethylthiophene-3-carbaldehyde - CAS 30187-23-6

Catalog:	BB020486
Product Name:	4,5-Dimethylthiophene-3-carbaldehyde
CAS:	30187-23-6
Synonyms:	4,5-dimethyl-3-thiophenecarboxaldehyde; 4,5-dimethylthiophene-3-carbaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	4,5-dimethylthiophene-3-carbaldehyde
Description:	4,5-Dimethylthiophene-3-carbaldehyde (CAS# 30187-23-6) is a useful research chemical.
Molecular Weight:	140.20
Molecular Formula:	C7H8OS
Canonical SMILES:	CC1=C(SC=C1C=O)C
InChI:	InChI=1S/C7H8OS/c1-5-6(2)9-4-7(5)3-8/h3-4H,1-2H3
InChI Key:	QZBILYRKOIDVSF-UHFFFAOYSA-N
LogP:	2.17740

Publication Number	Title	Priority Date
AU-2001246954-B2	Flavouring a foodstuff with compounds containing a sulfur atom linked to two specific atoms or groups	20000406
AU-2001246954-B8	Flavouring a foodstuff with compounds containing a sulfur atom linked to two specific atoms or groups	20000406
BR-0109877-A	Process for flavoring a foodstuff, flavoring concentrate, and flavored foodstuff	20000406
CA-2405145-A1	Flavouring a foodstuff with compounds containing a sulfur atom linked to two specific atoms or groups	20000406
EP-1142490-A1	Flavouring a foodstuff with compounds containing a sulphur atom linked to two specific atoms or groups	20000406

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Complexity:	114
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.02958605
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	140.02958605
Rotatable Bond Count:	1
Topological Polar Surface Area:	45.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8