TL;DR: 1-methyl-3-[(E)-thiophen-2-ylmethylideneamino]thiourea (CAS 1255763-48-4) is a chemical compound with molecular formula C7H9N3S2 and molecular weight 199.02379 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-3-[(E)-thiophen-2-ylmethylideneamino]thiourea
Also Known As: 2-thiophenecarbaldehyde N-methylthiosemicarbazone, J2.636.013G, 1-Methyl-3-[(2-thienylmethylene)amino]thiourea, 4-Methyl-1-(2-thienylmethylene)thiosemicarbazide, 1-methyl-3-[(E)-thiophen-2-ylmethylideneamino]thiourea
| Molecular Formula | C7H9N3S2 |
| Molecular Weight | 199.02379 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 96.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.02379 Da |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
| SMILES | CNC(=S)N/N=C/C1=CC=CS1 |
| InChIKey | GVSCOAYJXHCUMB-WEVVVXLNSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-3-[(E)-thiophen-2-ylmethylideneamino]thiourea. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-3-[(E)-thiophen-2-ylmethylideneamino]thiourea. Following Lipinski's Rule of Five, 1-methyl-3-[(E)-thiophen-2-ylmethylideneamino]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 1-methyl-3-[(E)-thiophen-2-ylmethylideneamino]thiourea is 1255763-48-4.
The molecular formula of 1-methyl-3-[(E)-thiophen-2-ylmethylideneamino]thiourea is C7H9N3S2.
The molecular weight of 1-methyl-3-[(E)-thiophen-2-ylmethylideneamino]thiourea is 199.02379 g/mol.
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