Molecular Structure:
CAS No.:
299-35-4
Product Name.:
CCD No.:CCD00448774
Formula:C12 H16 N4 O S2
MolWeight:296.417
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| Product Name： | THIOTHIAMINE |
| CAS： | 299-35-4 |
| English Synonyms： | THIAMINE IMPURITY E ; 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-3H-THIAZOLE-2-THIONE ; THIOTHIAMINE ; 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-(2-HYDROXYETHYL)-4-METHYLTHIAZOL-2(3H)-THIONE |
| MDL Number.： | MFCD04112824 |
| H bond acceptor： | 5 |
| H bond donor： | 2 |
| Smile： | Cc1c(sc(=S)n1Cc2cnc(nc2N)C)CCO |
| InChi： | InChI=1S/C12H16N4OS2/c1-7-10(3-4-17)19-12(18)16(7)6-9-5-14-8(2)15-11(9)13/h5,17H,3-4,6H2,1-2H3,(H2,13,14,15) |
| InChiKey： | InChIKey=SQOCQQPFEFRKBV-UHFFFAOYSA-N |
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| Melting Point： | 239℃ |
| Comments： | GENERAL DESCRIPTION: THIS PRODUCT IS PROVIDED AS DELIVERED AND SPECIFIED BY THE ISSUING PHARMACOPOEIA. ALL INFORMATION PROVIDED IN SUPPORT OF THIS PRODUCT, INCLUDING MSDS AND ANY PRODUCT INFORMATION LEAFLETS HAVE BEEN DEVELOPED AND ISSUED UNDER THE AUTHORITY OF THE ISSUING PHARMACOPOEIA. FOR FURTHER INFORMATION AND SUPPORT PLEASE GO TO THE WEBSITE OF THE ISSUING PHARMACOPOEIA OTHER NOTES: SALES RESTRICTIONS MAY APPLY |
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Basic Information
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