7-Bromo-2H-[1,4]-benzothiazin-3(4H)-one - CAS 90814-91-8
Catalog: |
BB039962 |
Product Name: |
7-Bromo-2H-[1,4]-benzothiazin-3(4H)-one |
CAS: |
90814-91-8 |
Synonyms: |
7-bromo-4H-1,4-benzothiazin-3-one |
IUPAC Name: | 7-bromo-4H-1,4-benzothiazin-3-one |
Description: | 7-Bromo-2H-[1,4]-benzothiazin-3(4H)-one (CAS# 90814-91-8) is a useful research chemical. |
Molecular Weight: | 244.11 |
Molecular Formula: | C8H6BrNOS |
Canonical SMILES: | C1C(=O)NC2=C(S1)C=C(C=C2)Br |
InChI: | InChI=1S/C8H6BrNOS/c9-5-1-2-6-7(3-5)12-4-8(11)10-6/h1-3H,4H2,(H,10,11) |
InChI Key: | MDFPWMKBRDOSGB-UHFFFAOYSA-N |
Boiling Point: | 397.2 °C at 760 mmHg |
Melting Point: | 210-214 °C (lit.) |
Purity: | 95 % |
Density: | 1.689 g/cm3 |
MDL: | MFCD02660583 |
LogP: | 2.63130 |
GHS Hazard Statement: | H317 (90.48%): 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-2019217307-A1 | Kras g12c inhibitors | 20180507 |
EP-3790551-A1 | Kras g12c inhibitors | 20180507 |
EP-3134408-A1 | FACTOR XIa INHIBITORS | 20140422 |
US-10093683-B2 | Factor XIa inhibitors | 20140422 |
US-2017044183-A1 | FACTOR XIa INHIBITORS | 20140422 |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.93535 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.93535 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 54.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Thiazines
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS