3-[(4-Amino-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-2(3H)-thiazolethione - CAS 49615-40-9
Catalog: |
BB074496 |
Product Name: |
3-[(4-Amino-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-2(3H)-thiazolethione |
CAS: |
49615-40-9 |
Synonyms: |
3-[(4-Aminopyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazole-2-thione; 3-((4-Aminopyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazole-2(3H)-thione; 3-[(4-Amino-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-2(3H)-thiazolethione; 3-(4-amino-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-3H-thiazole-2-thione; 3-[(4-aminopyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-2,3-dihydro-1,3-thiazole-2-thione |
IUPAC Name: | 3-[(4-aminopyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazole-2-thione |
Description: | 3-[(4-Amino-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-2(3H)-thiazolethione is an intermediate in the synthesis of Thiamine (T344185) analogues. |
Molecular Weight: | 282.39 |
Molecular Formula: | C11H14N4OS2 |
Canonical SMILES: | CC1=C(SC(=S)N1CC2=CN=CN=C2N)CCO |
InChI: | InChI=1S/C11H14N4OS2/c1-7-9(2-3-16)18-11(17)15(7)5-8-4-13-6-14-10(8)12/h4,6,16H,2-3,5H2,1H3,(H2,12,13,14) |
InChI Key: | MFGLSEGUYKPNCZ-UHFFFAOYSA-N |
Melting Point: | 201-203°C |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | Light Yellow Solid |
Storage: | -20°C |
References: | Warnock, L., et al. Anal. Biochem., 126, 394 (1982), Royer-Morrot, J., et al. Eur. J. Clin. Pharmacol., 42, 219. |
Complexity: | 361 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 282.06090343 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 282.06090343 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 133Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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