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34964-70-0

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Basic Information
CAS No.: 34964-70-0
Name: 10H-Phenothiazine, 3,7-dibromo-10-methyl-
Molecular Structure:
Molecular Structure of 34964-70-0 (10H-Phenothiazine, 3,7-dibromo-10-methyl-)
Formula: C13H9Br2NS
Molecular Weight: 371.095
Synonyms: 3,7-dibromo-N-methylphenothiazine;3,7-dibromo-10-methyl-10H-phenothiazine;3,7-Dibrom-10-methyl-phenothiazin;3,7-dibromo-10-methyl-phenothiazine;3,7-dibromo-10-methylphenothiazine;
Density: 1.776 g/cm3
Boiling Point: 453.384 °C at 760 mmHg
Flash Point: 227.999 °C
PSA: 28.54000
LogP: 5.50910
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Specification

The CAS registry number of 10H-Phenothiazine, 3,7-dibromo-10-methyl- is 34964-70-0. This chemical's molecular formula is C13H9Br2NS and molecular weight is 371.09. What's more, its systematic name is called 3,7-Dibromo-10-methyl-10H-phenothiazine.

Physical properties about 10H-Phenothiazine, 3,7-dibromo-10-methyl- are: (1)ACD/LogP: 5.868; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.87; (4)ACD/LogD (pH 7.4): 5.87; (5)ACD/BCF (pH 5.5): 16984.25; (6) ACD/BCF (pH 7.4): 16984.25; (7)ACD/KOC (pH 5.5): 37106.86; (8)ACD/KOC (pH 7.4): 37106.86; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.54 Å2; (13)Index of Refraction: 1.703; (14)Molar Refractivity: 81.001 cm3; (15)Molar Volume: 208.973 cm3; (16)Polarizability: 32.111×10-24cm3; (17)Surface Tension: 53.540 dyne/cm; (18)Density: 1.776 g/cm3; (19)Flash Point: 227.999 °C; (20)Enthalpy of Vaporization: 71.278 kJ/mol; (21)Boiling Point: 453.384 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc2ccc1N(c3c(Sc1c2)cc(Br)cc3)C
(2) InChI: InChI=1S/C13H9Br2NS/c1-16-10-4-2-8(14)6-12(10)17-13-7-9(15)3-5-11(13)16/h2-7H,1H3
(3) InChIKey: MCAPNDGAMBCNKU-UHFFFAOYSA-N