2-Amino-6-thiocyanatobenzothiazole - CAS 7170-77-6
Catalog: |
BB034466 |
Product Name: |
2-Amino-6-thiocyanatobenzothiazole |
CAS: |
7170-77-6 |
Synonyms: |
(2-amino-1,3-benzothiazol-6-yl) thiocyanate |
IUPAC Name: | (2-amino-1,3-benzothiazol-6-yl) thiocyanate |
Description: | 2-Amino-6-thiocyanatobenzothiazole (CAS# 7170-77-6) is useful in the synthesis of the potent and Selective MET Kinase Inhibitor. |
Molecular Weight: | 207.28 |
Molecular Formula: | C8H5N3S2 |
Canonical SMILES: | C1=CC2=C(C=C1SC#N)SC(=N2)N |
InChI: | InChI=1S/C8H5N3S2/c9-4-12-5-1-2-6-7(3-5)13-8(10)11-6/h1-3H,(H2,10,11) |
InChI Key: | FVNSRFMQXKMHTQ-UHFFFAOYSA-N |
Boiling Point: | 435.9 °C at 760 mmHg |
Melting Point: | 194-197 °C (lit.) |
Purity: | 95 % |
Density: | 1.53 g/cm3 |
Appearance: | White to green solid |
MDL: | MFCD00043999 |
LogP: | 3.03288 |
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 |
US-2014036268-A1 | Composite substrate, lspr sensor including the same, method of using lspr sensor, and detection method using lspr sensor | 20120731 |
JP-2013095878-A | Benzothiazole compound and ink including the compound | 20111102 |
JP-5853601-B2 | Benzothiazole compound and ink containing the compound | 20111102 |
FR-2966151-A1 | New 6-triazolopyridazine-sulfanyl benzothiazole compounds are met kinase inhibitors useful for treating e.g. metabolic disorders, allergies, asthma, thrombosis, nervous system diseases, retinopathy, psoriasis, diabetes and cancers | 20101014 |
EP-2579022-A1 | Metal microparticle composite and method for producing the same | 20100528 |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.99248952 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.99248952 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 116 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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