5-Amino-2-methylbenzothiazole dihydrochloride - CAS 32770-99-3
Catalog: |
BB021400 |
Product Name: |
5-Amino-2-methylbenzothiazole dihydrochloride |
CAS: |
32770-99-3 |
Synonyms: |
2-methyl-1,3-benzothiazol-5-amine;dihydrochloride |
IUPAC Name: | 2-methyl-1,3-benzothiazol-5-amine;dihydrochloride |
Description: | 5-Amino-2-methylbenzothiazole dihydrochloride (CAS# 32770-99-3) is used as a reactant in the preparation of 3-cyanoquinolines as protein tyrosine kinase inhibitors. |
Molecular Weight: | 237.15 |
Molecular Formula: | C8H8N2S · 2HCl |
Canonical SMILES: | CC1=NC2=C(S1)C=CC(=C2)N.Cl.Cl |
InChI: | InChI=1S/C8H8N2S.2ClH/c1-5-10-7-4-6(9)2-3-8(7)11-5;;/h2-4H,9H2,1H3;2*1H |
InChI Key: | ZNIGVBCUUZGYDU-UHFFFAOYSA-N |
Boiling Point: | 325 °C at 760 mmHg |
Melting Point: | 249-250 °C (dec.)(lit.) |
Purity: | 95 % |
Appearance: | White to grey to brown powder |
MDL: | MFCD00012692 |
LogP: | 4.37210 |
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-2012115479-A2 | Diaminopyrimidine derivatives and processes for the preparation thereof | 20110225 |
EP-2337781-A2 | Anti-viral compounds to treat hcv infection | 20090611 |
EP-2337781-B1 | Anti-viral compounds to treat hcv infection | 20090611 |
EP-2368890-A1 | Hepatitis C virus inhibitors | 20090611 |
EP-2368890-B1 | Hepatitis C virus inhibitors | 20090611 |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.9941749 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.9941749 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 67.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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