2,5-Dimethylthiazole - CAS 4175-66-0

Catalog:	BB024949
Product Name:	2,5-Dimethylthiazole
CAS:	4175-66-0
Synonyms:	2,5-dimethylthiazole; 2,5-dimethyl-1,3-thiazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,5-dimethyl-1,3-thiazole
Description:	2,5-Dimethylthiazole (CAS# 4175-66-0) is a useful research chemical, a flavor component of roasted sesame oil.
Molecular Weight:	113.18
Molecular Formula:	C5H7NS
Canonical SMILES:	CC1=CN=C(S1)C
InChI:	InChI=1S/C5H7NS/c1-4-3-6-5(2)7-4/h3H,1-2H3
InChI Key:	WVUHHPQQQLBMOE-UHFFFAOYSA-N
Boiling Point:	153.4 °C at 760 mmHg
Melting Point:	69.00 °C at 760.00 mm Hg
Density:	1.081 g/cm³
Solubility:	slightly
Appearance:	Yellow liquid
MDL:	MFCD00130120
LogP:	1.75990

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Related Functional Groups

Oxazole/Thiazole

[16188-30-0]
4-Thiazolemethanamine
[13610-81-6]
(2-Oxo-1,3-benzoxazol-3(2H)-yl)acetaldehyde
[117043-86-4]
4-(Aminomethyl)thiazole Hydrochloride
[937598-16-8]
Ethyl 2-[(4-acetylphenyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
[885681-46-9]
Ethyl [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetate
[886497-58-1]
Ethyl 2-(cyclopentylamino)-4-(trifluoromethyl)thiazole-5-carboxylate

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	65.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	113.02992040
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	113.02992040
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8