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| Name |
2-Amino-5,6-dihydro-4H-cyclopentathiazole hydrochloride |
EINECS | N/A |
| CAS No. | 82514-58-7 | Density | N/A |
| PSA | 67.15000 | LogP | 2.59720 |
| Solubility | N/A | Melting Point |
245-247 °C (decomp) |
| Formula | C6H8N2S.ClH | Boiling Point | 322.4 °C at 760 mmHg |
| Molecular Weight | 176.67 | Flash Point | 148.8 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4H-Cyclopentathiazol-2-amine,5,6-dihydro-, monohydrochloride (9CI);4H-Cyclopentathiazole,2-amino-5,6-dihydro-, hydrochloride (7CI);2-Amino-5,6-dihydro-4H-cyclopentathiazole hydrochloride; |
2-Amino-5,6-dihydro-4H-cyclopentathiazole hydrochloride Specification
The cas register number of 2-Amino-5,6-dihydro-4H-cyclopentathiazole hydrochloride is 82514-58-7. It also can be called as 4H-cyclopenta[d]thiazol-2-amine, 5,6-dihydro-, hydrochloride (1:1) and the Systematic name about this chemical is 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine hydrochloride (1:1).
Physical properties about 2-Amino-5,6-dihydro-4H-cyclopentathiazole hydrochloride are: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 7; (7)ACD/KOC (pH 5.5): 13; (8)ACD/KOC (pH 7.4): 137; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 67.15Å2; (13)Flash Point: 148.8 °C; (14)Enthalpy of Vaporization: 57.55 kJ/mol; (15)Boiling Point: 322.4 °C at 760 mmHg; (16)Vapour Pressure: 0.000203 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1.SMILES: Cl.Nc1nc2CCCc2s1
2.InChI: InChI=1/C6H8N2S.ClH/c7-6-8-4-2-1-3-5(4)9-6;/h1-3H2,(H2,7,8);1H
3.InChIKey: XKEVCDYDIQVBRN-UHFFFAOYAH
4.Std. InChI: InChI=1S/C6H8N2S.ClH/c7-6-8-4-2-1-3-5(4)9-6;/h1-3H2,(H2,7,8);1H
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