S-Ethoxycarbonylthiamine hydro-chloride supplier

Name
S-[(1E)-2-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-1-(2-hydroxyethyl)prop-1-en-1-yl] O-ethyl thiocarbonate hydrochloride
EINECS
CAS No. 616-97-7
Density
Solubility
Melting Point
Formula C₁₅H₂₂N₄O₄S₂•ClH
Boiling Point 603.3°C at 760 mmHg
Molecular Weight 422.99
Flash Point 318.7°C
Transport Information
Appearance
Safety Poison by intravenous route. Mildly toxic by ingestion. When heated to decomposition it emits very toxic fumes of HCl, SO_x and NO_x.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms
PSA
LogP

S-Ethoxycarbonylthiamine hydro-chloride Chemical Properties

IUPAC Name: Ethyl [(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]sulfanylformate hydrochloride
Synonyms of S-Ethoxycarbonylthiamine hydro-chloride (CAS NO.616-97-7): S-Aethoxy-carbonylthiamin hydrochlorid ; S-Carbethoxythiamine hydrochloride ; Carbonic acid, thio-, O-ethyl ester, S-ester with N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide, hydrochloride
InChI: InChI=1/C15H22N4O4S.ClH/c1-4-23-15(22)24-13(5-6-20)10(2)19(9-21)8-12-7-17-11(3)18-14(12)16;/h7,9,20H,4-6,8H2,1-3H3,(H2,16,17,18);1H/b13-10+;
CAS NO: 616-97-7
Molecular Formula: C₁₅H₂₃ClN₄O₄S
Molecular Weight : 390.8855
Molecular Structure:
H bond acceptors: 8
H bond donors: 3
Freely Rotating Bonds: 10
Polar Surface Area: 110.16 Å²
Flash Point: 318.7 °C
Enthalpy of Vaporization: 94.37 kJ/mol
Boiling Point: 603.3 °C at 760 mmHg
Vapour Pressure: 2.08E-15 mmHg at 25°C

S-Ethoxycarbonylthiamine hydro-chloride Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	339mg/kg (339mg/kg)		Internationale Zeitschrift fuer Vitaminforschung. International Review of Vitamin Research. Vol. 37, Pg. 82, 1967.
mouse	LD50	oral	4250mg/kg (4250mg/kg)		Internationale Zeitschrift fuer Vitaminforschung. International Review of Vitamin Research. Vol. 37, Pg. 82, 1967.

S-Ethoxycarbonylthiamine hydro-chloride Safety Profile

Poison by intravenous route. Mildly toxic by ingestion. When S-Ethoxycarbonylthiamine hydro-chloride (CAS NO.616-97-7) is heated to decomposition ,it emits very toxic fumes of HCl, SO_x and NO_x.

Product Name

S-[(1E)-2-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-1-(2-hydroxyethyl)prop-1-en-1-yl] O-ethyl thiocarbonate hydrochloride

S-Ethoxycarbonylthiamine hydro-chloride Chemical Properties

S-Ethoxycarbonylthiamine hydro-chloride Toxicity Data With Reference

S-Ethoxycarbonylthiamine hydro-chloride Safety Profile

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