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137786-05-1

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Basic Information
CAS No.: 137786-05-1
Name: 5-(T-BUTYL)-6H-1,3,4-TRIADIAZINE HYDROCHLORIDE
Molecular Structure:
Molecular Structure of 137786-05-1 (5-(T-BUTYL)-6H-1,3,4-TRIADIAZINE HYDROCHLORIDE)
Formula: C7H15ClN4S
Molecular Weight: 222.74
Synonyms: 2H-1,3,4-Thiadiazin-2-one,5-(1,1-dimethylethyl)-3,6-dihydro-, hydrazone, monohydrochloride (9CI);
Boiling Point: 291.4 °C at 760 mmHg
Flash Point: 130 °C
PSA: 88.07000
LogP: 2.22130
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  • 6H-1,3,4-Thiadiazine,5-(1,1-dimethylethyl)-2-hydrazinyl-, hydrochloride (1:1)

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    6H-1,3,4-Thiadiazine,5-(1,1-dimethylethyl)-2-hydrazinyl-, hydrochloride (1:1)

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Specification

The CAS registry number of 6H-1,3,4-Thiadiazine,5-(1,1-dimethylethyl)-2-hydrazinyl-, hydrochloride (1:1) is 137786-05-1. The systematic name is (5-tert-butyl-6H-1,3,4-thiadiazin-2-yl)hydrazinium chloride. In addition, the molecular formula is C7H15ClN4S and the molecular weight is 222.74. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about 6H-1,3,4-Thiadiazine,5-(1,1-dimethylethyl)-2-hydrazinyl-, hydrochloride (1:1) are: (1)ACD/LogP: 0.06; (2)ACD/LogD (pH 5.5): -1.86; (3)ACD/LogD (pH 7.4): -0.79; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 3.63; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 53.26 Å2; (12)Flash Point: 130 °C; (13)Enthalpy of Vaporization: 53.08 kJ/mol; (14)Boiling Point: 291.4 °C at 760 mmHg; (15)Vapour Pressure: 0.00195 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].N=1\N=C(/SCC=1C(C)(C)C)N[NH3+]
(2)InChI: InChI=1/C7H14N4S.ClH/c1-7(2,3)5-4-12-6(9-8)11-10-5;/h4,8H2,1-3H3,(H,9,11);1H
(3)InChIKey: KVIOIHSHIITDPB-UHFFFAOYAC