1,2-Benzothiazol-3-amine - CAS 23031-78-9
Catalog: |
BB017874 |
Product Name: |
1,2-Benzothiazol-3-amine |
CAS: |
23031-78-9 |
Synonyms: |
1,2-benzothiazol-3-amine; 1,2-benzothiazol-3-amine |
IUPAC Name: | 1,2-benzothiazol-3-amine |
Description: | 1,2-Benzothiazol-3-amine (CAS# 23031-78-9) is a useful research chemical. |
Molecular Weight: | 150.20 |
Molecular Formula: | C7H6N2S |
Canonical SMILES: | C1=CC=C2C(=C1)C(=NS2)N |
InChI: | InChI=1S/C7H6N2S/c8-7-5-3-1-2-4-6(5)10-9-7/h1-4H,(H2,8,9) |
InChI Key: | WIJQCPIRWXSWQG-UHFFFAOYSA-N |
Boiling Point: | 217.6 °C at 760 mmHg |
Density: | 1.383 g/cm3 |
LogP: | 2.45970 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113292510-A | Benzisothiazole compound for inhibiting hypoxia inducible factor 2 activity, preparation method and application thereof | 20210607 |
CN-113200938-A | Benzisothiazole hypoxia inducible factor 2 agonist compound or pharmaceutically acceptable salt thereof, preparation method and application | 20210520 |
CN-109734610-A | A kind of m-substituted phenol compound and the preparation method and application thereof | 20190226 |
WO-2020070181-A1 | Inhibitors of the yap/taz-tead interaction and their use in the treatment of cancer | 20181002 |
EP-3860990-A1 | Inhibitors of the yap/taz-tead interaction and their use in the treatment of cancer | 20181002 |
PMID | Publication Date | Title | Journal |
21319832 | 20110318 | Palladium-catalyzed denitrogenation reaction of 1,2,3-benzotriazin-4(3H)-ones incorporating isocyanides | Organic letters |
21579247 | 20100430 | N-(3-Chloro-phen-yl)-1,2-benzisothia-zol-3-amine 1,1-dioxide | Acta crystallographica. Section E, Structure reports online |
18534720 | 20090201 | Evaluation of the local anaesthetic activity of 3-aminobenzo[d]isothiazole derivatives using the rat sciatic nerve model | European journal of medicinal chemistry |
14758990 | 20031001 | Study of local anesthetic activity of some derivatives of 3-amino-benzo-[d]-isothiazole | SAR and QSAR in environmental research |
Complexity: | 129 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 150.02516937 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 150.02516937 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 67.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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