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| CAS No.: | 66357-40-2 |
|---|---|
| Name: | 2-NITROMETHYLENETHIAZOLIDINE |
| Molecular Structure: | |
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| Formula: | C4H6N2O2S |
| Molecular Weight: | 146.17 |
| Synonyms: | Thiazolidine, 2-(nitromethylene)-; |
| Density: | 1.495 g/cm3 |
| Melting Point: | 141-143°C |
| Boiling Point: | 278.2 °C at 760 mmHg |
| Flash Point: | 122 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 83.15000 |
| LogP: | 1.25040 |
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Specification
The cas register number of 2-(Nitromethylene)thiazolidine is 66357-40-2. It also can be called as Thiazolidine, 2-(nitromethylene)- and the IUPAC Name about this chemical is (2E)-2-(nitromethylidene)-1,3-thiazolidine. It belongs to the Oxime.
Physical properties about 2-(Nitromethylene)thiazolidine are: (1)ACD/LogP: -0.04; (2)ACD/LogD (pH 5.5): -0.04; (3)ACD/LogD (pH 7.4): -0.04; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 22.55; (7)ACD/KOC (pH 7.4): 22.55; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 74.36Å2; (12)Index of Refraction: 1.696; (13)Molar Refractivity: 37.61 cm3; (14)Molar Volume: 97.7 cm3; (15)Polarizability: 14.91x10-24cm3; (16)Surface Tension: 71.3 dyne/cm; (17)Enthalpy of Vaporization: 51.68 kJ/mol; (18)Vapour Pressure: 0.00433 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CSC(=C[N+](=O)[O-])N1
(2)Isomeric SMILES: C1CS/C(=C/[N+](=O)[O-])/N1
(3)InChI: InChI=1S/C4H6N2O2S/c7-6(8)3-4-5-1-2-9-4/h3,5H,1-2H2/b4-3+
(4)InChIKey: IDEZECZCLMOIJN-ONEGZZNKSA-N