TL;DR: 1-(1,5-dimethyl-1H-pyrazol-4-yl)thiourea (CAS 1004451-60-8) is a chemical compound with molecular formula C6H10N4S and molecular weight 170.06262 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1,5-dimethylpyrazol-4-yl)thiourea
Also Known As: 1-(1,5-dimethyl-1H-pyrazol-4-yl)thiourea, (1,5-dimethylpyrazol-4-yl)thiourea, (1,5-Dimethyl-1H-pyrazol-4-yl)-thiourea, (1,5-dimethyl-1H-pyrazol-4-yl)thiourea, (1,5-Dimethyl-1 H -pyrazol-4-yl)-thiourea
| Molecular Formula | C6H10N4S |
| Molecular Weight | 170.06262 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 88.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.06262 Da |
| Heavy Atoms | 11 |
| Complexity | 161.0 |
| SMILES | CC1=C(C=NN1C)NC(=S)N |
| InChIKey | IDPCSJVPBANTPJ-UHFFFAOYSA-N |
The XLogP value of -0.2 indicates that 1-(1,5-dimethyl-1H-pyrazol-4-yl)thiourea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,5-dimethyl-1H-pyrazol-4-yl)thiourea. Following Lipinski's Rule of Five, 1-(1,5-dimethyl-1H-pyrazol-4-yl)thiourea has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(1,5-dimethyl-1H-pyrazol-4-yl)thiourea is 1004451-60-8.
The molecular formula of 1-(1,5-dimethyl-1H-pyrazol-4-yl)thiourea is C6H10N4S.
The molecular weight of 1-(1,5-dimethyl-1H-pyrazol-4-yl)thiourea is 170.06262 g/mol.
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