TL;DR: [(2-ethyl-3,6-dimethylthian-4-ylidene)amino]thiourea (CAS 1008006-67-4) is a chemical compound with molecular formula C10H19N3S2 and molecular weight 245.10204 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2-ethyl-3,6-dimethylthian-4-ylidene)amino]thiourea
Also Known As: [(2-ethyl-3,6-dimethylthian-4-ylidene)amino]thiourea|2-(2-ethyl-3,6-dimethyldihydro-2H-thiopyran-4(3H)-ylidene)hydrazinecarbothioamide
| Molecular Formula | C10H19N3S2 |
| Molecular Weight | 245.10204 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.10204 Da |
| Heavy Atoms | 15 |
| Complexity | 265.0 |
| SMILES | CCC1C(C(=NNC(=S)N)CC(S1)C)C |
| InChIKey | UAUHIFSBKYNFHU-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(2-ethyl-3,6-dimethylthian-4-ylidene)amino]thiourea. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [(2-ethyl-3,6-dimethylthian-4-ylidene)amino]thiourea. Following Lipinski's Rule of Five, [(2-ethyl-3,6-dimethylthian-4-ylidene)amino]thiourea has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [(2-ethyl-3,6-dimethylthian-4-ylidene)amino]thiourea is 1008006-67-4.
The molecular formula of [(2-ethyl-3,6-dimethylthian-4-ylidene)amino]thiourea is C10H19N3S2.
The molecular weight of [(2-ethyl-3,6-dimethylthian-4-ylidene)amino]thiourea is 245.10204 g/mol.
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