Thionine supplier | CasNO.135-59-1

Name
THIONIN
EINECS 205-204-5
CAS No. 135-59-1
Article Data14
CAS DataBase
Density 1.48 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₀N₃S
Boiling Point 416.3 °C at 760 mmHg
Molecular Weight 227.29
Flash Point 205.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3H-Phenothiazine,7-amino-3-imino- (8CI);3H-Phenothiazin-7-amine,3-imino-;
PSA 93.17000
LogP 1.06140

Thionine Specification

The Thionine, with the CAS registry number 135-59-1, is also known as 3H-Phenothiazin-7-amine, 3-imino-. Its EINECS registry number is 205-204-5. This chemical's molecular formula is C₁₂H₁₀N₃S and molecular weight is 227.28496. What's more, its IUPAC name is 7-Iminophenothiazin-3-amine. In addition, this chemical is a strongly staining metachromatic dye that are widely used for biological staining. Beside, Thionine can also be used in place of Schiff reagent in quantitative Feulgen staining of DNA. And it can also be used to mediate electron transfer in microbial fuel cells.

Physical properties about Thionine are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 8.39; (5)ACD/KOC (pH 7.4): 9.06; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 87.53 Å²; (10)Index of Refraction: 1.791; (11)Molar Refractivity: 64.89 cm³; (12)Molar Volume: 153 cm³; (13)Polarizability: 25.72×10^-24 cm³; (14)Surface Tension: 66.4 dyne/cm; (15)Density: 1.48 g/cm³; (16)Flash Point: 205.6 °C; (17)Enthalpy of Vaporization: 66.96 kJ/mol; (18)Boiling Point: 416.3 °C at 760 mmHg; (19)Vapour Pressure: 3.85E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) Canonical SMILES: C1=CC2=C(C=C1N)SC3=CC(=N)C=CC3=N2
(2) InChI: InChI=1S/C12H9N3S/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9/h1-6,13H,14H2
(2) InChIKey: SHHZUHVSERGLNW-UHFFFAOYSA-N

Product Name

THIONIN

Thionine Specification

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