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74149-38-5

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Basic Information
CAS No.: 74149-38-5
Name: BIS(METHYLTHIO)GLIOTOXIN
Article Data: 2
Molecular Structure:
Molecular Structure of 74149-38-5 (BIS(METHYLTHIO)GLIOTOXIN)
Formula: C15H20N2O4S2
Molecular Weight: 356.467
Synonyms: Pyrazino[1,2-a]indole-1,4-dione,2,3,5a,6,10,10a-hexahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylthio)-,[3R-(3a,5ab,6b,10aa)]-;Bisdethiobis(methylthio)gliotoxin;Dimethylgliotoxin;FR 49175;
Density: 1.49 g/cm3
Boiling Point: 669.6 °C at 760 mmHg
Flash Point: 358.8 °C
Solubility: DMSO, ethanol
Appearance: Colorless oil
Hazard Symbols: HarmfulXn
Risk Codes: 20/21/22
Safety: 36
PSA: 131.68000
LogP: -0.09690
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  • Bis(methylthio)gliotoxin (FR-49175)

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    74149-38-5

    Bis(methylthio)gliotoxin (FR-49175)

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  • BIS(METHYLTHIO)GLIOTOXIN

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    BIS(METHYLTHIO)GLIOTOXIN

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    factory?direct?saleAppearance:White powder Storage:Sealed and preserved Package:200/Kilograms Application:healing drugs Transportation:By sea Port:Shanghai/tianjin

    Zhejiang Jiuzhou Chemical Co.,Ltd is a market-oriented and innovation-driven biopharmaceutical company. The company is focusing on the R&D, manufacturing and sales of pharmaceutica

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Specification

The Pyrazino[1,2-a]indole-1,4-dione,2,3,5a,6,10,10a-hexahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylthio)-,(3R,5aS,6S,10aR)-, with the CAS registry number 74149-38-5, is also known as Bisdethiobis(methylthio)gliotoxin. This chemical's molecular formula is C15H20N2O4S2 and molecular weight is 356.46. What's more, its systematic name is (3R,5aS,6S,10aR)-6-hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylsulfanyl)-2,3,5a,6,10,10a-hexahydropyrazino[1,2-a]indole-1,4-dione. Its storage temperature is -20 °C.

Physical properties of Pyrazino[1,2-a]indole-1,4-dione,2,3,5a,6,10,10a-hexahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylthio)-,(3R,5aS,6S,10aR)- are: (1)ACD/LogP: 0.25; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 109.68 Å2; (7)Index of Refraction: 1.701; (8)Molar Refractivity: 92.03 cm3; (9)Molar Volume: 237.7 cm3; (10)Polarizability: 36.48×10-24 cm3; (11)Surface Tension: 76.9 dyne/cm; (12)Density: 1.49 g/cm3; (13)Flash Point: 358.8 °C; (14)Enthalpy of Vaporization: 112.61 kJ/mol; (15)Boiling Point: 669.6 °C at 760 mmHg; (16)Vapour Pressure: 8.57E-21 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. When using it, you should wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C1N3[C@](SC)(C(=O)N([C@@]1(SC)CO)C)C/C2=C/C=C\[C@H](O)[C@H]23
(2)InChI: InChI=1/C15H20N2O4S2/c1-16-12(20)14(22-2)7-9-5-4-6-10(19)11(9)17(14)13(21)15(16,8-18)23-3/h4-6,10-11,18-19H,7-8H2,1-3H3/t10-,11-,14+,15+/m0/s1
(3)InChIKey: OVBAGMZLGLXSBN-UOVKNHIHBM