CAS No.82514-58-7,2-Amino-5,6-dihydro-4H-cyclopentathiazole hydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	82514-58-7
Name:	2-Amino-5,6-dihydro-4H-cyclopentathiazole hydrochloride

Formula:	C₆H₈N₂S.ClH
Molecular Weight:	176.67
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;
Melting Point:	245-247 °C (decomp)
Boiling Point:	322.4 °C at 760 mmHg
Flash Point:	148.8 °C
PSA:	67.15000
LogP:	2.59720

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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