CAS No.32418-24-9,ETHYL 2-[(5-AMINO-1,3,4-THIADIAZOL-2-YL)THIO]ACETATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	32418-24-9
Name:	ETHYL 2-[(5-AMINO-1,3,4-THIADIAZOL-2-YL)THIO]ACETATE
Article Data:	9

Formula:	C₆H₉N₃O₂S₂
Molecular Weight:	219.288
Synonyms:	Aceticacid, [(5-amino-1,3,4-thiadiazol-2-yl)thio]-, ethyl ester (8CI,9CI);NSC 523973;
Density:	1.43 g/cm³
Boiling Point:	377.5 °C at 760 mmHg
Flash Point:	182.1 °C
PSA:	131.64000
LogP:	1.35670

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Specification

The Acetic acid,2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-, ethyl ester, with the CAS registry number 32418-24-9, is also known as Ethyl [(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate. This chemical's molecular formula is C₆H₉N₃O₂S₂ and molecular weight is 219.28456. Its IUPAC name is called ethyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate.

Physical properties of Acetic acid,2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-, ethyl ester: (1)ACD/LogP: 1.50; (2)ACD/LogD (pH 5.5): 1.5; (3)ACD/LogD (pH 7.4): 1.5; (4)ACD/BCF (pH 5.5): 8.17; (5)ACD/BCF (pH 7.4): 8.18; (6)ACD/KOC (pH 5.5): 156.58; (7)ACD/KOC (pH 7.4): 156.6; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.604; (12)Molar Refractivity: 52.49 cm³; (13)Molar Volume: 152.4 cm³; (14)Surface Tension: 73 dyne/cm; (15)Density: 1.43 g/cm³; (16)Flash Point: 182.1 °C; (17)Enthalpy of Vaporization: 62.53 kJ/mol; (18)Boiling Point: 377.5 °C at 760 mmHg; (19)Vapour Pressure: 6.7E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)CSC1=NN=C(S1)N
(2)InChI: InChI=1S/C6H9N3O2S2/c1-2-11-4(10)3-12-6-9-8-5(7)13-6/h2-3H2,1H3,(H2,7,8)
(3)InChIKey: IYLGYUIQSDVGCP-UHFFFAOYSA-N