5-(Trifluoromethyl)benzoxazole-2(3H)-thione - CAS 13451-80-4
Catalog: |
BB007951 |
Product Name: |
5-(Trifluoromethyl)benzoxazole-2(3H)-thione |
CAS: |
13451-80-4 |
Synonyms: |
5-(trifluoromethyl)-3H-1,3-benzoxazole-2-thione; 5-(trifluoromethyl)-3H-1,3-benzoxazole-2-thione |
IUPAC Name: | 5-(trifluoromethyl)-3H-1,3-benzoxazole-2-thione |
Description: | 5-(Trifluoromethyl)benzoxazole-2(3H)-thione (CAS# 13451-80-4 ) is a useful research chemical. |
Molecular Weight: | 219.18 |
Molecular Formula: | C8H4F3NOS |
Canonical SMILES: | C1=CC2=C(C=C1C(F)(F)F)NC(=S)O2 |
InChI: | InChI=1S/C8H4F3NOS/c9-8(10,11)4-1-2-6-5(3-4)12-7(14)13-6/h1-3H,(H,12,14) |
InChI Key: | MBQRNNRGEFJOFN-UHFFFAOYSA-N |
Boiling Point: | 243 °C at 760 mmHg |
Density: | 1.58 g/cm3 |
LogP: | 3.13530 |
Publication Number | Title | Priority Date |
US-10766888-B1 | HMOX1 inducers | 20190412 |
WO-2020210339-A1 | Hmox1 inducers | 20190412 |
TW-202104211-A | Hmox1 inducers | 20190412 |
WO-2019204550-A1 | Isoindolines as hdac inhibitors | 20180420 |
BR-112020021353-A2 | ISOINDOLINS AS HDAC INHIBITORS | 20180420 |
Complexity: | 256 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.99656941 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.99656941 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 53.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Benzoxazole/Benzothiazole
-
[1326714-98-0]
4-Bromobenzo[d]isothiazole
-
[1855907-41-3]
6-(2,2,3,3-Tetrafluoropropoxy)-1,3-benzothiazol-2-amine
-
[50710-33-3]
5,7-Dichloro-2-(chloromethyl)benzoxazole
-
[6481-01-2]
2,5,7-Trichlorobenzoxazole
-
[1035840-42-6]
1-(1,3-Benzoxazol-2-yl)piperidin-4-one
-
[858635-83-3]
7-(2-bromoacetyl)-4-hydroxy-2,3-dihydro-1,3-benzothiazol-2-one
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS