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. : | 19462-98-7 | MDL No. : | MFCD00052398 |
Formula : | C7H4Cl2N2S | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | AFDOMGKBKBKUHB-UHFFFAOYSA-N |
M.W : | 219.09 | Pubchem ID : | 2774259 |
Synonyms : |
|
Num. heavy atoms : | 12 |
Num. arom. heavy atoms : | 9 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 0 |
Num. H-bond acceptors : | 1.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 53.37 |
TPSA : | 67.48 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | Yes |
CYP2C19 inhibitor : | Yes |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -5.34 cm/s |
Log Po/w (iLOGP) : | 1.69 |
Log Po/w (XLOGP3) : | 3.23 |
Log Po/w (WLOGP) : | 3.16 |
Log Po/w (MLOGP) : | 2.44 |
Log Po/w (SILICOS-IT) : | 3.57 |
Consensus Log Po/w : | 2.82 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -3.79 |
Solubility : | 0.0357 mg/ml ; 0.000163 mol/l |
Class : | Soluble |
Log S (Ali) : | -4.32 |
Solubility : | 0.0105 mg/ml ; 0.0000479 mol/l |
Class : | Moderately soluble |
Log S (SILICOS-IT) : | -4.26 |
Solubility : | 0.012 mg/ml ; 0.0000548 mol/l |
Class : | Moderately soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.39 |
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 |
---|---|---|
75% | Heating | General procedure: O-phenylenediamines (0.065 mol) was heated with N-aminorhodanine (0.065 mol) in xylene (50 ml) for 5 hours. The obtained residue was filtered and was crystallized from aqueous alcohol (charcoal). The obtained solid was recrystallized in ethanol. |
[ 6478-73-5 ]
5,6-Dichloro-1H-benzo[d]imidazole
Similarity: 0.82
[ 1087737-96-9 ]
5,6-Dichlorobenzimidazole Hydrochloride
Similarity: 0.82
[ 18672-03-2 ]
5,6-Dichloro-1H-benzo[d]imidazol-2-amine
Similarity: 0.76
[ 6478-79-1 ]
5,6-Dichloro-2-methylbenzimidazole
Similarity: 0.73
[ 37052-78-1 ]
5-Methoxy-1H-benzo[d]imidazole-2-thiol
Similarity: 0.57
[ 92807-02-8 ]
Methyl 2-mercapto-1H-benzo[d]imidazole-4-carboxylate
Similarity: 0.56
[ 97963-62-7 ]
5-(Difluoromethoxy)-1H-benzo[d]imidazole-2-thiol
Similarity: 0.53
[ 6478-73-5 ]
5,6-Dichloro-1H-benzo[d]imidazole
Similarity: 0.82
[ 1087737-96-9 ]
5,6-Dichlorobenzimidazole Hydrochloride
Similarity: 0.82
[ 18672-03-2 ]
5,6-Dichloro-1H-benzo[d]imidazol-2-amine
Similarity: 0.76
[ 6478-79-1 ]
5,6-Dichloro-2-methylbenzimidazole
Similarity: 0.73