7-Methyl-1,4-benzothiazin-3(4H)-one - CAS 30322-02-2
Catalog: |
BB020551 |
Product Name: |
7-Methyl-1,4-benzothiazin-3(4H)-one |
CAS: |
30322-02-2 |
Synonyms: |
7-methyl-4H-1,4-benzothiazin-3-one |
IUPAC Name: | 7-methyl-4H-1,4-benzothiazin-3-one |
Description: | 7-Methyl-1,4-benzothiazin-3(4H)-one (CAS# 30322-02-2) is a useful research chemical. |
Molecular Weight: | 179.24 |
Molecular Formula: | C9H9NOS |
Canonical SMILES: | CC1=CC2=C(C=C1)NC(=O)CS2 |
InChI: | InChI=1S/C9H9NOS/c1-6-2-3-7-8(4-6)12-5-9(11)10-7/h2-4H,5H2,1H3,(H,10,11) |
InChI Key: | ODJQMWDFNLNCTM-UHFFFAOYSA-N |
Boiling Point: | 364.5 °C at 760 mmHg |
Melting Point: | 207-209 °C (lit.) |
Purity: | 95 % |
Density: | 1.24 g/cm3 |
MDL: | MFCD02660690 |
LogP: | 2.17720 |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2014060112-A1 | Pyrazolo[4,3-d]pyrimidines as kinase inhibitors | 20121019 |
WO-2014060113-A1 | Novel kinase inhibitors | 20121019 |
EP-2751083-B1 | Quinolone compound | 20110831 |
US-2014086941-A1 | SUBSTITUTED 2-BENZYLIDENE-2H-BENZO[b][1,4]THIAZIN-3(4H)-ONES, DERIVATIVES THEREOF, AND THERAPEUTIC USES THEREOF | 20110527 |
US-9242945-B2 | Substituted 2-benzylidene-2H-benzo[b][1,4]thiazin-3(4H)-ones, derivatives thereof, and therapeutic uses thereof | 20110527 |
Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.04048508 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.04048508 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 54.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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