4-Amino-2-methyl-5-pyrimidinemethanesulfonic acid - CAS 2908-73-8
Catalog: |
BB075144 |
Product Name: |
4-Amino-2-methyl-5-pyrimidinemethanesulfonic acid |
CAS: |
2908-73-8 |
Synonyms: |
2-Methyl-4-amino-5-sulfomethylpyrimidine; NSC 165509 |
IUPAC Name: | (4-amino-2-methylpyrimidin-5-yl)methanesulfonic acid |
Description: | 4-Amino-2-methyl-5-pyrimidinemethanesulfonic acid is used in the biosynthesis of Thiamine (T344185) in yeast. |
Molecular Weight: | 203.22 |
Molecular Formula: | C6H9N3O3S |
Canonical SMILES: | CC1=NC=C(C(=N1)N)CS(=O)(=O)O |
InChI: | InChI=1S/C6H9N3O3S/c1-4-8-2-5(6(7)9-4)3-13(10,11)12/h2H,3H2,1H3,(H2,7,8,9)(H,10,11,12) |
InChI Key: | BONBSNIMLNTEIY-UHFFFAOYSA-N |
Melting Point: | >300°C |
Solubility: | Aqueous Acid (Slightly, Heated), Aqueous Base (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | 4°C |
References: | White, R., et al. Journal of the American Chemical Society, 104, 4934 (1982).. |
Complexity: | 261 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.03646233 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.03646233 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 115Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.1 |
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