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Found 1 result

Search term: MF = 'C_{12}H_{18}ClN_{4}O_{4}PS'

monophosphothiamine

Molecular FormulaC₁₂H₁₈ClN₄O₄PS
Average mass380.788 Da
Monoisotopic mass380.047485 Da
ChemSpider ID10307

More details:

Names and Synonyms
Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-{3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl}ethyl hydrogen phosphate hydrochloride

208-536-9 [EINECS]

3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-ium chloride [ACD/IUPAC Name]

3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-iumchlorid [German] [ACD/IUPAC Name]

3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-ium chloride

3844977 [Beilstein]

532-40-1 [RN]

Aneurine monophosphate chloride

Chlorure de 3-[(4-amino-2-méthyl-5-pyrimidinyl)méthyl]-4-méthyl-5-[2-(phosphonooxy)éthyl]-1,3-thiazol-3-ium [French] [ACD/IUPAC Name]

MFCD00063473

More...

monofosfotiamina [Spanish] [INN]

monophosphothiamine [INN]

monophosphothiamine [French] [INN]

monophosphothiaminum [Latin] [INN]

P712T71Q3T

thiamine monophosphate

thiamine monophosphate chloride

thiamine(1+) monophosphate chloride

Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(2-(phosphonooxy)ethyl)-, chloride

thiazolium, 3-[(1,6-dihydro-6-imino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-, inner salt, hydrochloride (1:1)

thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-, chloride (1:1) [ACD/Index Name]

монофосфотиамин [Russian] [INN]

أحادي فوسفوثيامين [Arabic] [INN]

磷硫胺 [Chinese] [INN]

Thiamin monophosphate

Thiamin phosphate

Tiamina monofosfato

[532-40-1] [RN]

[Thiaminium dihydrogen phosphate chloride (estersalt)]

2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethyl dihydrogen phosphate chloride

2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate and chloride

2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate chloride

2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate chloride

2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate;chloride

2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate chloride

2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl(1,3-thiazol-5-yl)}ethyl dihydrogen phosphate, chloride

2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl(1,3-thiazol-5-yl)}ethyldihydrogen phosphate, chloride

3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(2-(phosphonooxy)ethyl)thiazolium Chloride

3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[2-(hydrogen phosphonatooxy)ethyl]-4-methyl-1,3-thiazol-3-ium hydrochloride

Aneurin-monophosphorsaeureesterchlorid

D08581

EINECS 208-536-9

monofosfotiamina

Monofosfotiamina [INN-Spanish]

monofosfotiamina; monophosphothiamine; monophosphothiaminum

monophosphoric ester of thiamine

Monophosphothiamine (INN)

Monophosphothiamine [DCF:INN] [INN]

monophosphothiaminum

Monophosphothiaminum [INN-Latin]

Phosphothiamine

Phosphothiaminum

Thiamin dihydrogenphosphatchlorid

THIAMINEMONOPHOSPHATECHLORIDE

Tiamina monofosfato [DCIT]

UNII:P712T71Q3T

UNII-P712T71Q3T

vitamin B1 monophosphate

vitamin B1 monophosphate chloride

vitamin B1 phosphate

vitamin B1 phosphate chloride

монофосфотиамин

أحادي فوسفوثيامين

磷硫胺

Less...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

702 [DBID]

88340_FLUKA [DBID]

CHEBI:18338 [DBID]

T8637_SIGMA [DBID]

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon
Predicted - Mcule

Experimental Physico-chemical Properties
- Experimental Melting Point:
  
  190 °C Sigma-Aldrich SIGMA-T8637
Miscellaneous
- Chemical Class:
  
  An organic chloride salt of thiamine(1+) monophosphate. ChEBI CHEBI:18338

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

No predicted properties have been calculated for this compound.

Density:
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Enthalpy of Vaporization:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:

ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site

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monophosphothiamine

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