CAS No.4338-98-1,3-METHYL-2-BENZOTHIAZOLINONE HYDRAZONE HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4338-98-1
Name:	3-METHYL-2-BENZOTHIAZOLINONE HYDRAZONE HYDROCHLORIDE
Article Data:	5

Formula:	C₈H₉N₃S
Molecular Weight:	215.706
Synonyms:	3-Methyl-2(3H)-benzothiazolone hydrazone hydrochloride;2-Benzothiazolinone, 3-methyl-, hydrazone, monohydrochloride;2(3H)-Benzothiazolone, 3-methyl-, hydrazone, hydrochloride;3-Methylbenzothiazol-2(3H)-one hydrazone monohydrochloride;2-Benzothiazolinone, 3-methyl-, hydrazone, monohydrochloride (8CI);Besthorns hydrazone hydrochloride;14448-67-0;2(3H)-Benzothiazolone, 3-methyl-, hydrazone, monohydrochloride;3-Methylbenzothiazol-2(3H)-one hydrazone hydrochloride;3-Methyl-2-benzothiazolinone hydrazone hydrochloride;2-Benzothiazolinone, 3-methyl-, hydrazone, hydrochloride;144602-06-2;(Z)-(3-Methylbenzothiazol-2-ylidene)hydrazine hydrochloride;2 (3H)-Benzothiazolone, 3-methyl-, hydrazone, monohydrochloride;
EINECS:	224-393-5
Density:	1.37 g/cm³
Boiling Point:	342.9 °C at 760 mmHg
Flash Point:	161.2 °C
Solubility:	Soluble in water
PSA:	71.55000
LogP:	2.51650

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Specification

The MBTH hydrochloride, with the CAS registry number 4338-98-1, is also known as (2Z)-2- Hydrazinylidene-3-methyl-2,3-dihydro-1,3-benzothiazole hydrochloride (1:1). Its EINECS registry number is 224-393-5. This chemical's molecular formula is C₈H₁₀ClN₃S and molecular weight is 215.7. What's more, its IUPAC name is called (Z)-(3-Methyl-1,3-benzothiazol-2-ylidene)hydrazine hydrochloride.

Physical properties about MBTH hydrochloride are: (1) ACD/LogP: 1.61; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2; (4) ACD/LogD (pH 7.4): 2; (5) ACD/BCF (pH 5.5): 9; (6) ACD/BCF (pH 7.4): 10; (7) ACD/KOC (pH 5.5): 163; (8) ACD/KOC (pH 7.4): 179; (9) #H bond acceptors: 3; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 44.14 Å²; (13) Flash Point: 161.2 °C; (14) Enthalpy of Vaporization: 58.67 kJ/mol; (15) Boiling Point: 342.9 °C at 760 mmHg; (16) Vapour Pressure: 7.31E-05 mmHg at 25 °C.

Uses of MBTH hydrochloride: it is used to produce other chemicals. For example, it is used to produce N-Cyclohex-2-enylidene-N'-(3-methyl-3H-benzothiazol-2-ylidene)-hydrazine. The reaction occurs with reagent CH₃COONa, solvent Ethanol and other condition of heating for 1 hour.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.N(=C2\Sc1ccccc1N2C)\N
(2) InChI: InChI=1/C8H9N3S.ClH/c1-11-6-4-2-3-5-7(6)12-8(11)10-9;/h2-5H,9H2,1H3;1H/b10-8-;
(3) InChIKey: OEZPVSPULCMUQB-DQMXGCRQBZ