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. : | 51307-43-8 | MDL No. : | MFCD08275702 |
Formula : | C4H6N2OS | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | FNXARVNPSVMCEY-UHFFFAOYSA-N |
M.W : | 130.17 | Pubchem ID : | 16766621 |
Synonyms : |
|
Num. heavy atoms : | 8 |
Num. arom. heavy atoms : | 5 |
Fraction Csp3 : | 0.25 |
Num. rotatable bonds : | 1 |
Num. H-bond acceptors : | 2.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 32.65 |
TPSA : | 87.38 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) : | -7.26 cm/s |
Log Po/w (iLOGP) : | 0.9 |
Log Po/w (XLOGP3) : | -0.24 |
Log Po/w (WLOGP) : | 0.07 |
Log Po/w (MLOGP) : | -1.08 |
Log Po/w (SILICOS-IT) : | 1.29 |
Consensus Log Po/w : | 0.19 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 2.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -0.89 |
Solubility : | 16.7 mg/ml ; 0.128 mol/l |
Class : | Very soluble |
Log S (Ali) : | -1.14 |
Solubility : | 9.49 mg/ml ; 0.0729 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -0.73 |
Solubility : | 24.4 mg/ml ; 0.187 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.35 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H315-H319-H335 | 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 |
---|---|---|
80% | for 1.5 h; Heating / reflux | 1-Bromo-3-hydroxypropan-2-one (60 g, 392 mmol) and thiourea (34 g, 451 mmol) were charged into a 1 L round bottom flask containing 400 mL of EtOH. The resulting mixture was heated to reflux for 90 minutes. The reaction mixture was then cooled and concentrated under reduced pressure, and a precipitate formed. The product was obtained as a solid (40 g, yield=80percent) after filtration and washing three times with hexane. The product was used directly in the next step without further purification. LCMS (API-ES) m/z (percent) 131.2 (100percent, M++H). |
[ 494769-44-7 ]
tert-Butyl (4-(hydroxymethyl)thiazol-2-yl)carbamate
Similarity: 0.64
[ 349480-74-6 ]
Imidazo[2,1-b]thiazol-6-ylmethanol
Similarity: 0.63
[ 118452-04-3 ]
Methyl 2-aminothiazole-4-carboxylate
Similarity: 0.77
[ 59608-97-8 ]
4-(Chloromethyl)thiazol-2-amine hydrochloride
Similarity: 0.74
[ 118452-04-3 ]
Methyl 2-aminothiazole-4-carboxylate
Similarity: 0.77
[ 59608-97-8 ]
4-(Chloromethyl)thiazol-2-amine hydrochloride
Similarity: 0.74