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| Name |
Dithiopropylthiamine hydrochloride |
EINECS | N/A |
| CAS No. | 973-99-9 | Density | 1.261g/cm3 |
| PSA | 143.67000 | LogP | 4.09890 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C15H24 N4 O2 S2 . Cl H | Boiling Point | 593.7°Cat760mmHg |
| Molecular Weight | 393.01 | Flash Point | 312.9°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of HCl, SOx, and NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Formamide,N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-(propyldithio)-1-butenyl]-,monohydrochloride (8CI,9CI); Dithiopropylthiamine hydrochloride; Prosultiaminehydrochloride; Thiamine propyl disulfide hydrochloride |
Dithiopropylthiamine hydrochloride Chemical Properties
Molecular Structure of Dithiopropylthiamine hydrochloride (CAS NO.973-99-9):
IUPAC: N-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-N-(4-hydroxy-1-methyl-2-propyldisulfanyl-but-1-enyl)formamide hydrochloride
Molecular Formula:C15H25ClN4O2S2
Molecular Weight:392.9676
EINECS:213-547-7
Density:1.261g/cm3
Melting point:160-161oC
Flash Point:324.3oC
Boiling Point:612.6oC at 760 mmHg
SMILES:Cl.Nc1nc(C)ncc1CN(C=O)C(C)=C(CCO)SSCCC
InChI:InChI=1/C15H24N4O2S2.ClH/c1-4-7-22-23-14(5-6-20)11(2)19(10-21)9-13-8-17-12(3)18-15(13)16;/h8,10,20H,4-7,9H2,1-3H3,(H2,16,17,18);1H
InChIKey:DURRYBGTQKKQBR-UHFFFAOYAM
Enthalpy of Vaporization:95.6 kJ/mol
Vapour Pressure:7.34E-16 mmHg at 25oC
Dithiopropylthiamine hydrochloride Toxicity Data With Reference
| 1. | orl-mus LD50:2512 mg/kg | IZVIAK Internationale Zeitschrift fuer Vitaminforschung. International Review of Vitamin Research. 37 (1967),82. | ||
| 2. | ivn-mus LD50:302 mg/kg | IZVIAK Internationale Zeitschrift fuer Vitaminforschung. International Review of Vitamin Research. 37 (1967),82. |
Dithiopropylthiamine hydrochloride Safety Profile
Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of HCl, SOx, and NOx.
Dithiopropylthiamine hydrochloride Specification
Dithiopropylthiamine hydrochloride with cas registry number of 973-99-9 is also known as N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[4-hydroxy-1-methyl-2-(propyldithio)but-1-en-1-yl]formamide monohydrochloride ; Thiamine propyl disulfide hydrochloride . It is a solid and this compound is stable under normal temperatures and pressures but it also should be stored in a cool, dry place when not in use. Dithiopropylthiamine hydrochloride with cas registry number of 973-99-9 is used as a pharmaceutical Intermediate.
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