Thiazolo[3,2-a]benzimidazol-3(2H)-one,2-[[bis(1-methylpropyl)amino]methyl]- supplier

Name
2-[(dibutan-2-ylamino)methyl][1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
EINECS
CAS No. 22833-31-4
Density 1.22 g/cm³
Solubility
Melting Point
Formula C₁₈H₂₅N₃OS
Boiling Point 464.7 °C at 760 mmHg
Molecular Weight 331.4756
Flash Point 234.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Thiazolo[3,2-a]benzimidazol-3(2H)-one,2-[(di-sec-butylamino)methyl]- (8CI);
PSA
LogP

Thiazolo[3,2-a]benzimidazol-3(2H)-one,2-[[bis(1-methylpropyl)amino]methyl]- Specification

The Thiazolo[3,2-a]benzimidazol-3(2H)-one,2-[[bis(1-methylpropyl)amino]methyl]- is an organic compound with the formula C₁₈H₂₅N₃OS. The IUPAC name of this chemical is 2-[[di(butan-2-yl)amino]methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one. With the CAS registry number 22833-31-4, it is also named as 2-((Di-sec-butylamino)methyl)thiazolo(3,2-a)benzimidazol-3(2H)-one.

Physical properties about Thiazolo[3,2-a]benzimidazol-3(2H)-one,2-[[bis(1-methylpropyl)amino]methyl]- are: (1)ACD/LogP: 5.09; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 4; (4)#Freely Rotating Bonds: 6; (5)Polar Surface Area: 63.43 Å²; (6)Index of Refraction: 1.631; (7)Molar Refractivity: 96.74 cm³; (8)Molar Volume: 271.4 cm³; (9)Polarizability: 38.35×10^-24cm³; (10)Surface Tension: 43.7 dyne/cm; (11)Density: 1.22 g/cm³; (12)Flash Point: 234.8 °C; (13)Enthalpy of Vaporization: 72.62 kJ/mol; (14)Boiling Point: 464.7 °C at 760 mmHg; (15)Vapour Pressure: 8.19E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1n2c3c(nc2SC1CN(C(C)CC)C(C)CC)cccc3
(2)InChI: InChI=1/C18H25N3OS/c1-5-12(3)20(13(4)6-2)11-16-17(22)21-15-10-8-7-9-14(15)19-18(21)23-16/h7-10,12-13,16H,5-6,11H2,1-4H3
(3)InChIKey: SLYDRIZHGRYNEE-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C18H25N3OS/c1-5-12(3)20(13(4)6-2)11-16-17(22)21-15-10-8-7-9-14(15)19-18(21)23-16/h7-10,12-13,16H,5-6,11H2,1-4H3
(5)Std. InChIKey: SLYDRIZHGRYNEE-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	unreported	500mg/kg (500mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Journal of Medicinal Chemistry. Vol. 12, Pg. 962, 1969.

Product Name

2-[(dibutan-2-ylamino)methyl][1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one

Thiazolo[3,2-a]benzimidazol-3(2H)-one,2-[[bis(1-methylpropyl)amino]methyl]- Specification

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