200,000+ products from a single source!
sales@angenechem.com
89227-88-3 | 2(3H)-Benzoxazolethione, 5,7-dimethyl-
CAS No: 89227-88-3 Catalog No: AG0044H3 MDL No:MFCD08063009
Product Description
Catalog Number:
AG0044H3
Chemical Name:
2(3H)-Benzoxazolethione, 5,7-dimethyl-
CAS Number:
89227-88-3
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
MDL Number:
MFCD08063009
IUPAC Name:
5,7-dimethyl-3H-1,3-benzoxazole-2-thione
InChI:
InChI=1S/C9H9NOS/c1-5-3-6(2)8-7(4-5)10-9(12)11-8/h3-4H,1-2H3,(H,10,12)
InChI Key:
HJZZWSFFYPMYOI-UHFFFAOYSA-N
SMILES:
Cc1cc(C)cc2c1oc(=S)[nH]2
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.237g/mol
Monoisotopic Mass:
179.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.