2-Amino-6-methylbenzothiazole - CAS 2536-91-6
Catalog: |
BB018882 |
Product Name: |
2-Amino-6-methylbenzothiazole |
CAS: |
2536-91-6 |
Synonyms: |
6-methyl-1,3-benzothiazol-2-amine |
IUPAC Name: | 6-methyl-1,3-benzothiazol-2-amine |
Description: | 2-Amino-6-methylbenzothiazole (CAS# 2536-91-6) is a useful research chemical. |
Molecular Weight: | 164.23 |
Molecular Formula: | C8H8N2S |
Canonical SMILES: | CC1=CC2=C(C=C1)N=C(S2)N |
InChI: | InChI=1S/C8H8N2S/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3,(H2,9,10) |
InChI Key: | DZWTXWPRWRLHIL-UHFFFAOYSA-N |
Boiling Point: | 322 °C at 760 mmHg |
Purity: | 98.0% |
Density: | 1.315 g/cm3 |
MDL: | MFCD00005789 |
LogP: | 2.76810 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021125803-A1 | Novel pyrimidin derivative and use thereof | 20191216 |
US-2021171531-A1 | Masp-2 inhibitors and methods of use | 20191204 |
EP-3827665-A1 | Mammal kinase inhibitors to promote in vitro embryogenesis induction of plants | 20191126 |
WO-2021105182-A1 | Mammal kinase inhibitors to promote in vitro embryogenesis induction of plants | 20191126 |
WO-2021101927-A1 | Wdr5-myc inhibitors | 20191118 |
PMID | Publication Date | Title | Journal |
21836917 | 20110701 | Bis(2-amino-6-methyl-1,3-benzothia-zole-κN)bis-(4-nitro-benzoato-κO)zinc | Acta crystallographica. Section E, Structure reports online |
20810193 | 20101101 | Synthesis and anticancer activity evaluation of 4-thiazolidinones containing benzothiazole moiety | European journal of medicinal chemistry |
21179315 | 20101001 | New 4-thiazolidinones of nicotinic acid with 2-Amino-6-methylbenzothiazole and their biological activity | Scientia pharmaceutica |
21578422 | 20091023 | 2-Amino-6-methyl-1,3-benzothia-zole-octa-nedioic acid (2/1) | Acta crystallographica. Section E, Structure reports online |
21577592 | 20090819 | 2-Amino-6-methyl-1,3-benzothia-zole-deca-nedioic acid (2/1) | Acta crystallographica. Section E, Structure reports online |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.04081944 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.04081944 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 67.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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