CAS No.13750-68-0,4-METHYL-2-THIAZOLECARBOXALDEHYDE 97 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13750-68-0
Name:	4-METHYL-2-THIAZOLECARBOXALDEHYDE 97
Article Data:	22

Formula:	C₅H₅NOS
Molecular Weight:	127.167
Synonyms:	4-Methyl-2-formylthiazole;4-Methylthiazole-2-carbaldehyde;4-Methylthiazole-2-carboxaldehyde;2-thiazolecarboxaldehyde, 4-methyl-;
EINECS:	627-825-4
Density:	1.183 g/cm³
Boiling Point:	236.008 °C at 760 mmHg
Flash Point:	96.535 °C
Hazard Symbols:	Xn
Risk Codes:	22-36-43
Safety:	26-36/37
PSA:	58.20000
LogP:	1.26400

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Specification

The IUPAC name of this chemical is 4-Methyl-1,3-thiazole-2-carboxaldehyde. With the CAS registry number 13750-68-0, it is also named as 2-Thiazolecarboxaldehyde,4-methyl-. In addition, the formula is C₅H₅NOS and the molecular weight is 127.1643. It is belongs to the class of Aldehydes; Thiazoles, Isothiazoles & Benzothiazoles; Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Thiazoles.

Physical properties of 4-Methyl-1,3-thiazole-2-carboxaldehyde are: (1)ACD/LogP: 0.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.893; (4)ACD/LogD (pH 7.4): 0.893; (5)ACD/BCF (pH 5.5): 2.812; (6)ACD/BCF (pH 7.4): 2.812; (7)ACD/KOC (pH 5.5): 72.943; (8)ACD/KOC (pH 7.4): 72.945; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.2 Å²; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 34.306 cm³; (15)Molar Volume: 100.078 cm³; (16)Polarizability: 13.6×10^-24cm³; (17)Surface Tension: 50.879 dyne/cm; (18)Enthalpy of Vaporization: 45.361 kJ/mol; (19)Vapour Pressure: 0.074 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and irritating to eyes. And it may cause sensitization by contacting skin. When use it, you should wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1csc(n1)C=O
(2)InChI: InChI=1/C5H5NOS/c1-4-3-8-5(2-7)6-4/h2-3H,1H3
(3)InChIKey: NYMCQLLAIMUVSY-UHFFFAOYAD