2,4,5-Trimethylthiazole - CAS 13623-11-5

Catalog:	BB008318
Product Name:	2,4,5-Trimethylthiazole
CAS:	13623-11-5
Synonyms:	2,4,5-trimethyl-1,3-thiazole

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Computed Properties

IUPAC Name:	2,4,5-trimethyl-1,3-thiazole
Description:	2,4,5-Trimethylthiazole (CAS# 13623-11-5) is a useful research chemical.
Molecular Weight:	127.21
Molecular Formula:	C6H9NS
Canonical SMILES:	CC1=C(SC(=N1)C)C
InChI:	InChI=1S/C6H9NS/c1-4-5(2)8-6(3)7-4/h1-3H3
InChI Key:	BAMPVSWRQZNDQC-UHFFFAOYSA-N
Boiling Point:	189.96 °C (EPI 4.0)
Purity:	98.0 %
Density:	1.02 g/cm³
Solubility:	Slightly soluble in water.
Appearance:	Colorless to amber liquid
Storage:	Store tightly sealed under inert gas in a cool, well-ventilated area.
MDL:	MFCD00005332
LogP:	2.06830
Refractive Index:	1.505 : 1.511 at 20 deg C

Publication Number	Title	Priority Date
CN-113252812-A	Method for analyzing flavor substances of hotpot condiment	20210512
CN-113045993-A	Polishing solution for processing ultra-smooth low-damage bearing steel surface and application thereof	20210325
CN-112694453-A	Preparation method of N-methylated nitrogen-containing aromatic heterocyclic compound	20201225
CN-112617165-A	Preparation method of milk-flavor enzymolysis base material and application of base material	20201215
CN-112314925-A	Blended type stewed three-yellow chicken oily essence and preparation method thereof	20201104

PMID	Publication Date	Title	Journal
22248569	20120601	Fear-like behavioral responses in mice in different odorant environments: Trigeminal versus olfactory mediation under low doses	Behavioural processes
21536621	20110901	Dynamics of odorant binding to thin aqueous films of rat-OBP3	Chemical senses
21738794	20110101	Functional characterization of the octenol receptor neuron on the maxillary palps of the yellow fever mosquito, Aedes aegypti	PloS one
22174894	20110101	Heteromeric Anopheline odorant receptors exhibit distinct channel properties	PloS one
21124868	20101124	Localization of a guanylyl cyclase to chemosensory cilia requires the novel ciliary MYND domain protein DAF-25	PLoS genetics

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GHS Hazard Statement:	H302 (97.59%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	84.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.04557046
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	127.04557046
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2