-
Name
THIETAN-3-YLAMINE HYDROBROMIDE
- EINECS
- CAS No. 128861-76-7
- Article Data3
- CAS DataBase
- Density 1.142 g/cm3
- Solubility
- Melting Point
- Formula C3H7NS
- Boiling Point 148.5 °C at 760 mmHg
- Molecular Weight 89.1613
- Flash Point 43.6 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 3-Thiacyclobutylamin;THIETAN-3-YLAMINE;3-THIETANAMINE;3-aminothietane;
- PSA 51.32000
- LogP 1.71890
3-Thietanamine 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
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