Purity | Size | Price | VIP Price | USA Stock *0-1 Day | Global Stock *5-7 Days | Quantity | |||||
{[ item.p_purity ]} | {[ item.pr_size ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} | Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]} | {[ item.pr_usastock ]} | Inquiry - | {[ item.pr_chinastock ]} | Inquiry - |
* Storage: {[proInfo.prStorage]}
CAS No. : | 141-90-2 | MDL No. : | MFCD00006039 |
Formula : | C4H4N2OS | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | ZEMGGZBWXRYJHK-UHFFFAOYSA-N |
M.W : | 128.15 | Pubchem ID : | 1269845 |
Synonyms : |
Thiouracil;Antagothyroil;NSC 290414;NSC 290413;NSC 290412;NSC 19473
|
Chemical Name : | 4-Hydroxypyrimidine-2(1H)-thione |
Num. heavy atoms : | 8 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 0 |
Num. H-bond acceptors : | 2.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 31.44 |
TPSA : | 81.0 Ų |
GI absorption : | High |
BBB permeant : | No |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -7.12 cm/s |
Log Po/w (iLOGP) : | 0.93 |
Log Po/w (XLOGP3) : | -0.05 |
Log Po/w (WLOGP) : | 0.84 |
Log Po/w (MLOGP) : | -0.81 |
Log Po/w (SILICOS-IT) : | 2.18 |
Consensus Log Po/w : | 0.62 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 2.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -1.16 |
Solubility : | 8.91 mg/ml ; 0.0695 mol/l |
Class : | Very soluble |
Log S (Ali) : | -1.2 |
Solubility : | 8.08 mg/ml ; 0.063 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -1.15 |
Solubility : | 9.11 mg/ml ; 0.0711 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.7 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P201-P202-P281-P308+P313-P405-P501 | UN#: | N/A |
Hazard Statements: | H303-H351 | Packing Group: | N/A |
GHS Pictogram: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
4.25 g | Stage #1: at 60℃; for 2 h; Stage #2: With hydrogenchloride In water for 1 h; |
Thiourea (0.045 mol, 3.42 g) was weighed out,Crushed into the crude product obtained in Example 1,The reaction solution becomes thick, diluted with 15mL ethyl acetate reaction system,The reaction was stirred at 60 ° C for 2 hours and the reaction was completed by TLC.The reaction was concentrated to dryness,The resulting white solid was added 40mL hydrochloric acid solution (3mol / L) pulping 1 hour after filtration,Filter cake with 10mL water rinse,50 ° C for 4 hours under vacuum to give a white solid powder 4.25g,Two-step combined yield of 74percent, purity: 98.97percent. |
[ 22325-27-5 ]
2-Mercapto-4,6-dimethylpyrimidine
Similarity: 0.58
[ 22325-27-5 ]
2-Mercapto-4,6-dimethylpyrimidine
Similarity: 0.58