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887352-60-5

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Basic Information
CAS No.: 887352-60-5
Name: 2-Amino-4,6,7,8-tetrahydro-5-(N-carbethoxy)thiazolo[5,4-d]azepine
Molecular Structure:
Molecular Structure of 887352-60-5 (2-Amino-4,6,7,8-tetrahydro-5-(N-carbethoxy)thiazolo[5,4-d]azepine)
Formula: C10H15N3O2S
Molecular Weight: 241.31
Synonyms: ethyl 2-amino-4,6,7,8-tetrahydrothiazolo[5,4-c]azepine-5-carboxylate;
Density: 1.31 g/cm3
Melting Point: 141-143°C
Boiling Point: 421.7 °C at 760 mmHg
Flash Point: 208.8 °C
PSA: 97.42000
LogP: 1.49800
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Specification

The CAS registry number of 2-Amino-4,6,7,8-tetrahydro-5-(N-carbethoxy)thiazolo[5,4-d]azepine is 887352-60-5. It belongs to the product categories of Heterocyclic Compounds; Heterocycles. This chemical's molecular formula is C10H15N3O2S and molecular weight is 241.31. Its systematic name is called ethyl 2-amino-4,6,7,8-tetrahydrothiazolo[5,4-c]azepine-5-carboxylate.

Physical properties of 2-Amino-4,6,7,8-tetrahydro-5-(N-carbethoxy)thiazolo[5,4-d]azepine: (1)ACD/LogP: 0.92; (2)ACD/LogD (pH 5.5): 0.22; (3)ACD/LogD (pH 7.4): 0.9 ; (4)#H bond acceptors: 5; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 2; (7)Index of Refraction: 1.598; (8)Molar Refractivity: 62.9 cm3; (9)Molar Volume: 184.1 cm3; (10)Surface Tension: 60.2 dyne/cm; (11)Density: 1.31 g/cm3; (12)Flash Point: 208.8 °C; (13)Enthalpy of Vaporization: 67.57 kJ/mol; (14)Boiling Point: 421.7 °C at 760 mmHg; (15)Vapour Pressure: 2.56E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)N1CCCc2c(sc(n2)N)C1
(2)InChI: InChI=1/C10H15N3O2S/c1-2-15-10(14)13-5-3-4-7-8(6-13)16-9(11)12-7/h2-6H2,1H3,(H2,11,12)
(3)InChIKey: YIPBUARZMSWVJL-UHFFFAOYAG