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50930-44-4

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Basic Information
CAS No.: 50930-44-4
Name: 3-(Isopropyl)-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide, compound with dimethylamine (1:1)
Molecular Structure:
Molecular Structure of 50930-44-4 (3-(Isopropyl)-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide, compound with dimethylamine (1:1))
Formula: C12H19N3O3S
Molecular Weight: 285.3626
Synonyms: 9,9-dioxo-8-propan-2-yl-9$l^{6}-thia-8,10-diazabicyclo[4.4.0]deca-1,3,5-trien-7-one; N-methylmethanamine;1H-2,1,3-Benzothiadiazin-4(3H)-one,3-(1-methylethyl)-,2,2-dioxide,compd. with N-methylmethanamine;
EINECS: 256-855-7
Boiling Point: 395.7 °C at 760 mmHg
Flash Point: 193.1 °C
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Specification

The 3-(Isopropyl)-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide, compound with dimethylamine (1:1), with the CAS registry number 50930-44-4, is also known as 1H-2,1,3-Benzothiadiazin-4(3H)-one,3-(1-methylethyl)-,2,2-dioxide,compd. with N-methylmethanamine. Its EINECS registry number is 256-855-7. This chemical's molecular formula is C12H19N3O3S and molecular weight is 285.3626. 

Physical properties about 3-(Isopropyl)-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide are: (1)ACD/LogP: 2.80; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.03; (4)ACD/LogD (pH 7.4): 0.8; (5)ACD/BCF (pH 5.5): 1.33; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.38; (8)ACD/KOC (pH 7.4): 8.02; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 66.07 Å2; (13)Flash Point: 193.1 °C; (14)Enthalpy of Vaporization: 64.59 kJ/mol; (15)Boiling Point: 395.7 °C at 760 mmHg; (16)Vapour Pressure: 1.8E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1N(C(C)C)S(=O)(=O)Nc2ccccc12.N(C)C
(2) InChI: InChI=1/C10H12N2O3S.C2H7N/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;1-3-2/h3-7,11H,1-2H3;3H,1-2H3
(3) InChIKey: MYSPVTCSNUEPHX-UHFFFAOYAC