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128861-76-7

Basic Information
CAS No.: 128861-76-7
Name: THIETAN-3-YLAMINE HYDROBROMIDE
Article Data: 3
Molecular Structure:
Molecular Structure of 128861-76-7 (THIETAN-3-YLAMINE HYDROBROMIDE)
Formula: C3H7NS
Molecular Weight: 89.1613
Synonyms: 3-Thiacyclobutylamin;THIETAN-3-YLAMINE;3-THIETANAMINE;3-aminothietane;
Density: 1.142 g/cm3
Boiling Point: 148.5 °C at 760 mmHg
Flash Point: 43.6 °C
PSA: 51.32000
LogP: 1.71890
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Specification

The cas number of the 3-Thietanamine is 128861-76-7. Its systematic name is thietan-3-amine. The molecular formula is C3H7NS. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)# of Rule of 5 Violations: 0 ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 10.36; (6)#H bond acceptors: 1; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 51.32Å2; (10)Index of Refraction: 1.568; (11)Molar Refractivity: 25.55 cm3; (12)Molar Volume: 78 cm3; (13)Polarizability: 10.12×10-24cm3; (14)Surface Tension: 48.1 dyne/cm; (15)Enthalpy of Vaporization: 38.55 kJ/mol; (16)Vapour Pressure: 4.2 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: NC1CSC1
(2)InChI: InChI=1/C3H7NS/c4-3-1-5-2-3/h3H,1-2,4H2
(3)InChIKey: GNWIATZLVXZUEL-UHFFFAOYAB