CAS No.127108-66-1,1,2,3-Thiadiazole-5-carboxaldehyde, 4-methyl- (9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	127108-66-1
Name:	1,2,3-Thiadiazole-5-carboxaldehyde, 4-methyl- (9CI)
Article Data:	8

Formula:	C₄H₄N₂OS
Molecular Weight:	128.155
Synonyms:	5-Formyl-4-methyl-1,2,3-thiadiazole;
Density:	1.374 g/cm³
Boiling Point:	235.618 °C at 760 mmHg
Flash Point:	96.298 °C
Hazard Symbols:	Xi
Risk Codes:	Xi:; "> Xi:;
PSA:	71.09000
LogP:	0.65900

Total:27 Page 1 of 1 1

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Specification

The 1,2,3-Thiadiazole-5-carboxaldehyde,4-methyl-, with CAS registry number 127108-66-1, belongs to the following product categories: (1)Aldehyde; (2)Building Blocks; (3)Thiazole. It has the systematic name of 4-methyl-1,2,3-thiadiazole-5-carbaldehyde. And the chemical formula of this chemical is C₄H₄N₂OS.

Physical properties of 1,2,3-Thiadiazole-5-carboxaldehyde,4-methyl-: (1)ACD/LogP: 0.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.67; (4)ACD/LogD (pH 7.4): 0.67; (5)ACD/BCF (pH 5.5): 1.91; (6)ACD/BCF (pH 7.4): 1.91; (7)ACD/KOC (pH 5.5): 55.22; (8)ACD/KOC (pH 7.4): 55.22; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 71.09 Å²; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 32.39 cm³; (15)Molar Volume: 93.3 cm³; (16)Polarizability: 12.84×10^-24cm³; (17)Surface Tension: 61.6 dyne/cm; (18)Density: 1.373 g/cm³; (19)Flash Point: 96.3 °C; (20)Enthalpy of Vaporization: 47.24 kJ/mol; (21)Boiling Point: 235.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0496 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1snnc1C
(2)InChI: InChI=1/C4H4N2OS/c1-3-4(2-7)8-6-5-3/h2H,1H3
(3)InChIKey: OXDOIOYUIISYNE-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C4H4N2OS/c1-3-4(2-7)8-6-5-3/h2H,1H3
(5)Std. InChIKey: OXDOIOYUIISYNE-UHFFFAOYSA-N