TL;DR: Thiourea, N,N''-(2,3-dihydroxy-1,4-butanediyl)bis(N'-2-propenyl- (CAS 111915-66-3) is a chemical compound with molecular formula C12H22N4O2S2 and molecular weight 318.1184 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2,3-dihydroxy-4-(prop-2-enylcarbamothioylamino)butyl]-3-prop-2-enylthiourea
Also Known As: N,N'-Bis(allylthiocarbamoyl)-1,4-diaminobutane-2,3-diol, Thiourea, N,N''-(2,3-dihydroxy-1,4-butanediyl)bis(N'-2-propenyl-, N,N''-(2,3-Dihydroxy-1,4-butanediyl)bis(N'-2-propenylthiourea), 1-[2,3-dihydroxy-4-(prop-2-enylcarbamothioylamino)butyl]-3-prop-2-enylthiourea, N,N''-(2,3-Dihydroxybutane-1,4-diyl)bis(N'-prop-2-en-1-ylcarbamimidothioic acid)
| Molecular Formula | C12H22N4O2S2 |
| Molecular Weight | 318.1184 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 153.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 318.1184 Da |
| Heavy Atoms | 20 |
| Complexity | 307.0 |
| SMILES | C=CCNC(=S)NCC(C(CNC(=S)NCC=C)O)O |
| InChIKey | FJWJXBTYTGERGM-UHFFFAOYSA-N |
The XLogP value of -0.2 indicates that Thiourea, N,N''-(2,3-dihydroxy-1,4-butanediyl)bis(N'-2-propenyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 153.0 Ų indicates high polarity, suggesting Thiourea, N,N''-(2,3-dihydroxy-1,4-butanediyl)bis(N'-2-propenyl- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thiourea, N,N''-(2,3-dihydroxy-1,4-butanediyl)bis(N'-2-propenyl- has 6 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Thiourea, N,N''-(2,3-dihydroxy-1,4-butanediyl)bis(N'-2-propenyl- is 111915-66-3.
The molecular formula of Thiourea, N,N''-(2,3-dihydroxy-1,4-butanediyl)bis(N'-2-propenyl- is C12H22N4O2S2.
The molecular weight of Thiourea, N,N''-(2,3-dihydroxy-1,4-butanediyl)bis(N'-2-propenyl- is 318.1184 g/mol.
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