Prosultiamine
Properties
- Molecular formula
- C15H24N4O2S2
- Molar mass
- 356.50 g/mol
- Exact mass
- 356.1341 Da
- Melting point
- 128.5 °C (decomposes)
- logP
- 2.73Crippen estimate
- Polar surface area
- 92.3 Ų
- H-bond donors / acceptors
- 2 / 7
- Rotatable bonds
- 10
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
59-58-5SMILES
CCCSSC(=C(C)N(CC1=CN=C(N=C1N)C)C=O)CCOInChIKey
UDCIYVVYDCXLSX-UHFFFAOYSA-NInChI
InChI=1S/C15H24N4O2S2/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)Characterization data
Calculated from the structure, in the form journals print them.
[M + H]+
[M + H]+ Calcd for C15H25N4O2S2 357.1413[M + Na]+
[M + Na]+ Calcd for C15H24N4NaO2S2 379.1233[M − H]−
[M − H]− Calcd for C15H23N4O2S2 355.1268Elemental analysis
Anal. Calcd for C15H24N4O2S2: C, 50.54; H, 6.79; N, 15.72; S, 17.99.Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
25 names · show all
- Formamide, N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-(propyldithio)-1-buten-1-yl]-
- Formamide, N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-(propyldithio)-1-butenyl]-
- N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-(propyldithio)-1-buten-1-yl]formamide
- Alinamin
- N-[4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-(propyldithio)-1-butenyl]formamide
- Dithiopropylthiamine
- 2-[2′-Methyl-4′-aminopyrimidyl-(5′)]-methylformamido-5-hydroxy-δ2-pentenyl-(3)-propyl disulfide
- Thiamine propyl disulfide
- TPD
- Vitamin B1 propyl disulfide
- Prosulthiamine
- Arinamine
- Tipidi
- Nervilon
- Neurvita
- Aliton
- Nevriton
- Nuvelbi V. C. A.
- Tiotiamina
- Tiovit-B1
- Thiamin propyl disulfide
- Taketron
- Binova
- NSC 23893
- NSC 677470
Work with Prosultiamine
Similar compounds
Thiamine disulfide67-16-383 % similar
Fursultiamine804-30-870 % similar
Sulbutiamine3286-46-258 % similar
Benfotiamine22457-89-249 % similar
S-(2-(N-((4-Amino-2-methylpyrimidin-5-yl)methyl)formamido)-5-(phosphonooxy)pent-2-en-3-yl) 3-phenylprop-2-enethioate751-21-348 % similar
Toxopyrimidine73-67-637 % similar
3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium70-16-634 % similar
Thiamine nitrate532-43-434 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.