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Name |
Formamide,N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-[[(tetrahydro-2-furanyl)methyl]dithio]-1-buten-1-yl]-,hydrochloride (1:1) |
EINECS | 218-278-9 |
CAS No. | 2105-43-3 | Density | 1.305g/cm3 |
PSA | 152.17000 | LogP | 4.51900 |
Solubility | N/A | Melting Point |
160 °C (decomp) |
Formula | C17H27ClN4O3S2 | Boiling Point | 652.3 °C at 760 mmHg |
Molecular Weight | 435 | Flash Point | 348.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 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-[(tetrahydrofurfuryl)dithio]-1-butenyl]-,monohydrochloride (8CI);Formamide,N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-[[(tetrahydro-2-furanyl)methyl]dithio]-1-butenyl]-,monohydrochloride (9CI);Fursultiamine hydrochloride;TTFD hydrochloride;Thiamin tetrahydrofurfuryl disulfide hydrochloride;Thiamine tetrahydrofurfuryldisulfide hydrochloride; |
The Formamide,N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-[[(tetrahydro-2-furanyl)methyl]dithio]-1-buten-1-yl]-,hydrochloride (1:1) is an organic compound with the formula C17H27ClN4O3S2. The IUPAC name of this chemical is N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(E)-5-hydroxy-3-(oxolan-2-ylmethyldisulfanyl)pent-2-en-2-yl]formamide hydrochloride. With the CAS registry number 2105-43-3, it is also named as Thiamine tetrahydrofurfuryl disulfide hydrochloride.
Physical properties about Formamide,N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-[[(tetrahydro-2-furanyl)methyl]dithio]-1-buten-1-yl]-,hydrochloride (1:1) are: (1)ACD/LogP: 2.35; (2)#H bond acceptors: 7; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 10; (5)Polar Surface Area: 118.39 Å2; (6)Flash Point: 348.3 °C; (7)Enthalpy of Vaporization: 100.99 kJ/mol; (8)Boiling Point: 652.3 °C at 760 mmHg; (9)Vapour Pressure: 6.64E-18 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=CN(\C(=C(\SSCC1OCCC1)CCO)C)Cc2cnc(nc2N)C
(2)InChI: InChI=1/C17H26N4O3S2.ClH/c1-12(16(5-6-22)26-25-10-15-4-3-7-24-15)21(11-23)9-14-8-19-13(2)20-17(14)18;/h8,11,15,22H,3-7,9-10H2,1-2H3,(H2,18,19,20);1H/b16-12+;
(3)InChIKey: OPGOLNDOMSBSCW-CLNHMMGSBK
(4)Std. InChI: InChI=1S/C17H26N4O3S2.ClH/c1-12(16(5-6-22)26-25-10-15-4-3-7-24-15)21(11-23)9-14-8-19-13(2)20-17(14)18;/h8,11,15,22H,3-7,9-10H2,1-2H3,(H2,18,19,20);1H/b16-12+;
(5)Std. InChIKey: OPGOLNDOMSBSCW-CLNHMMGSSA-N