2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-2-sulfanylidene-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
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![2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-2-sulfanylidene-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f888f864603749e4b68c7bdbf7efa620.png "2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-2-sulfanylidene-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate")
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-2-sulfanylidene-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
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CAS No:
59733-98-1
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Formula:
C12H18N4O7P2S2
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Chemical Name:
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-2-sulfanylidene-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
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Synonyms:
Diphosphoric acid,mono(2-(3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-2,3-dihydro-4-methyl-2-thioxo-5-thiazolyl)ethyl) ester; TTTPP; Thiamine thiothiazolone pyrophosphate;
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CAS No:
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-2-sulfanylidene-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate Basic Attributes
456.37100
456.00921527 g/mol
DTXSID30208451
Computed Properties
Molecular Weight:456.4
XLogP3:-1.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:8
Exact Mass:456.00921527
Monoisotopic Mass:456.00921527
Topological Polar Surface Area:226
Heavy Atom Count:27
Complexity:703
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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