Tetrahydrothiamin monophosphate

Base Information

• Chemical Name: Tetrahydrothiamin monophosphate
• CAS No.: 60689-64-7
• Molecular Formula: C12H21N4O4PS
• Molecular Weight: 348.36
• DSSTox Substance ID: DTXSID30976123
• Nikkaji Number: J59.624H
• Mol file: 60689-64-7.mol

Synonyms:Tetrahydrothiamin monophosphate;60689-64-7;Tetrahydrothiamine monophosphate;BRN 5124300;5-Thiazolidineethanol, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-, dihydrogen phosphate (ester);C12H21N4O4PS;DTXSID30976123;C12-H21-N4-O4-P-S;LS-151357;2-{3-[(6-Imino-2-methyl-1,6-dihydropyrimidin-5-yl)methyl]-4-methyl-1,3-thiazolidin-5-yl}ethyl dihydrogen phosphate

Chemical Property of Tetrahydrothiamin monophosphate

Chemical Property:

• Vapor Pressure: 1.03E-13mmHg at 25°C
• Boiling Point: 567.4°C at 760 mmHg
• PKA: 1.89±0.10(Predicted)
• Flash Point: 297°C
• PSA: 157.64000
• Density: 1.418g/cm³
• LogP: 0.99800
• XLogP3: -2.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 348.10211334
• Heavy Atom Count: 22
• Complexity: 413

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(SCN1CC2=CN=C(N=C2N)C)CCOP(=O)(O)O

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