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Chemistry
Heterocyclic Building Blocks
Thiazoles
(R)-4,5,6,7-Tetrahydro-benzothiazole-2,6-diamine
Chemistry
Heterocyclic Building Blocks
Organic Building Blocks Asymmetric Synthesis
Thiazoles
Amines Other Aromatic Heterocycles Chiral Building Blocks

[ CAS No. 106092-11-9 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 106092-11-9
Chemical Structure| 106092-11-9
Structure of 106092-11-9 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 106092-11-9 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification
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Product Citations

Product Details of [ 106092-11-9 ]

CAS No. :106092-11-9 MDL No. :MFCD07369986
Formula : C7H11N3S Boiling Point : No data available
Linear Structure Formula :- InChI Key :DRRYZHHKWSHHFT-SCSAIBSYSA-N
M.W : 169.25 Pubchem ID :16743100
Synonyms :

Calculated chemistry of [ 106092-11-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.57
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 46.66
TPSA : 93.17 Ų

Pharmacokinetics

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) : -7.01 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.32
Log Po/w (XLOGP3) : 0.45
Log Po/w (WLOGP) : 0.55
Log Po/w (MLOGP) : 0.06
Log Po/w (SILICOS-IT) : 1.64
Consensus Log Po/w : 0.8

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.51
Solubility : 5.24 mg/ml ; 0.031 mol/l
Class : Very soluble
Log S (Ali) : -1.97
Solubility : 1.79 mg/ml ; 0.0106 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.45
Solubility : 6.03 mg/ml ; 0.0356 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.16

Safety of [ 106092-11-9 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:

Tags: 106092-11-9 synthesis path| 106092-11-9 SDS| 106092-11-9 COA| 106092-11-9 purity| 106092-11-9 application| 106092-11-9 NMR| 106092-11-9 COA| 106092-11-9 structure

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Thiazoles
Chemistry
Organic Building Blocks
Amines

Technical Information

• Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions • Chan-Lam Coupling Reaction • Hydride Reductions • Leuckart-Wallach Reaction • Mannich Reaction • Petasis Reaction • Preparation of Amines • Reactions of Amines • Specialized Acylation Reagents-Vilsmeier Reagent • Ugi Reaction
Historical Records

Related Functional Groups of
[ 106092-11-9 ]

Amines

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Related Parent Nucleus of
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