TL;DR: (1,3-Thiazol-4-ylmethylideneamino)thiourea (CAS 100130-36-7) is a chemical compound with molecular formula C5H6N4S2 and molecular weight 186.00339 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1,3-thiazol-4-ylmethylideneamino)thiourea
Also Known As: Hydrazinecarbothioamide, 2-(4-thiazolylmethylene)-
| Molecular Formula | C5H6N4S2 |
| Molecular Weight | 186.00339 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.00339 Da |
| Heavy Atoms | 11 |
| Complexity | 170.0 |
| SMILES | C1=C(N=CS1)C=NNC(=S)N |
| InChIKey | BMTOTQRWSOXUBR-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,3-Thiazol-4-ylmethylideneamino)thiourea. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,3-Thiazol-4-ylmethylideneamino)thiourea. Following Lipinski's Rule of Five, (1,3-Thiazol-4-ylmethylideneamino)thiourea has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (1,3-Thiazol-4-ylmethylideneamino)thiourea is 100130-36-7.
The molecular formula of (1,3-Thiazol-4-ylmethylideneamino)thiourea is C5H6N4S2.
The molecular weight of (1,3-Thiazol-4-ylmethylideneamino)thiourea is 186.00339 g/mol.
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