1,2,5-Thiadiazol-3(2H)-one,4-(4-morpholinyl)- supplier

Name
4-MORPHOLIN-4-YL-1,2,5-THIADIAZOL-3-OL
EINECS 608-450-5
CAS No. 30165-97-0
Article Data12
CAS DataBase
Density 1.69 g/cm³
Solubility
Melting Point 200-204 °C
Formula C₆H₉N₃O₂S
Boiling Point 336.6 °C at 760 mmHg
Molecular Weight 187.222
Flash Point 157.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2,5-Thiadiazol-3-ol,4-morpholino- (8CI);3-Hydroxy-4-morpholino-1,2,5-thiadiazole;3-Hydroxy-4-morpholino-1,2,5-thiazole;3-Morpholino-4-hydroxy-1,2,5-thiadiazole;4-(morpholin-4-yl)-1,2,5-thiadiazol-3(2H)-one;1,2,5-thiadiazol-3(2H)-one, 4-(4-morpholinyl)-;1,2,5-thiadiazol-3-ol, 4-(4-morpholinyl)-;4-(morpholin-4-yl)-1,2,5-thiadiazol-3-ol;4-Morpholin-4-yl-[1,2,5]thiadiazol-3-ol;
PSA 86.72000
LogP 0.14530

1,2,5-Thiadiazol-3(2H)-one,4-(4-morpholinyl)- Specification

The 1,2,5-Thiadiazol-3(2H)-one,4-(4-morpholinyl)-, with the CAS registry number 30165-97-0, has the systematic name of 4-(morpholin-4-yl)-1,2,5-thiadiazol-3(2H)-one. It belongs to the following product categories: Oxadiazoles & Thiadiazoles; Oxadiazoles & Thiadiazoles. And the molecular formula of the chemical is C₆H₉N₃O₂S.

The characteristics of 1,2,5-Thiadiazol-3(2H)-one,4-(4-morpholinyl)- are as followings: (1)ACD/LogP: -1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.93; (4)ACD/LogD (pH 7.4): -3.02; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.94; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 70.44 Å²; (13)Index of Refraction: 1.753; (14)Molar Refractivity: 45.21 cm³; (15)Molar Volume: 110.5 cm³; (16)Polarizability: 17.92×10^-24cm³; (17)Surface Tension: 74 dyne/cm; (18)Density: 1.69 g/cm³; (19)Flash Point: 157.3 °C; (20)Enthalpy of Vaporization: 60.27 kJ/mol; (21)Boiling Point: 336.6 °C at 760 mmHg; (22)Vapour Pressure: 5.7E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C2NS\N=C2\N1CCOCC1
(2)InChI: InChI=1/C6H9N3O2S/c10-6-5(7-12-8-6)9-1-3-11-4-2-9/h1-4H2,(H,8,10)
(3)InChIKey: DWUZILHYAJBUBR-UHFFFAOYAJ

Product Name

4-MORPHOLIN-4-YL-1,2,5-THIADIAZOL-3-OL

1,2,5-Thiadiazol-3(2H)-one,4-(4-morpholinyl)- Specification

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