TL;DR: [[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]thiourea (CAS 13456-61-6) is a chemical compound with molecular formula C7H15N3O5S and molecular weight 253.07324 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]thiourea
Also Known As: Glucose thiosemicarbazone, [(Z)-2,3,4,5,6-pentahydroxyhexylideneamino]thiourea
| Molecular Formula | C7H15N3O5S |
| Molecular Weight | 253.07324 g/mol |
| XLogP | -3.6 |
| Topological Polar Surface Area (TPSA) | 184.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 253.07324 Da |
| Heavy Atoms | 16 |
| Complexity | 252.0 |
| SMILES | C([C@H]([C@H]([C@@H]([C@H](C=NNC(=S)N)O)O)O)O)O |
| InChIKey | OMQATPITDSAIFV-SLPGGIOYSA-N |
The XLogP value of -3.6 indicates that [[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]thiourea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 184.0 Ų indicates high polarity, suggesting [[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]thiourea may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]thiourea has 7 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of [[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]thiourea is 13456-61-6.
The molecular formula of [[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]thiourea is C7H15N3O5S.
The molecular weight of [[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]thiourea is 253.07324 g/mol.
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