200,000+ products from a single source!
sales@angenechem.com
442644-44-2 | 7-(2H-1,2,3-benzotriazol-2-yl)-5-methyl-1,3-benzoxazole-2-thiol
CAS No: 442644-44-2 Catalog No: AG00JGO4 MDL No:MFCD03036783
Product Description
Catalog Number:
AG00JGO4
Chemical Name:
7-(2H-1,2,3-benzotriazol-2-yl)-5-methyl-1,3-benzoxazole-2-thiol
CAS Number:
442644-44-2
Molecular Formula:
C14H10N4OS
Molecular Weight:
282.3204
MDL Number:
MFCD03036783
IUPAC Name:
7-(benzotriazol-2-yl)-5-methyl-3H-1,3-benzoxazole-2-thione
InChI:
InChI=1S/C14H10N4OS/c1-8-6-11-13(19-14(20)15-11)12(7-8)18-16-9-4-2-3-5-10(9)17-18/h2-7H,1H3,(H,15,20)
InChI Key:
ZAULQVDMLNFNTM-UHFFFAOYSA-N
SMILES:
Cc1cc2nc(oc2c(c1)n1nc2c(n1)cccc2)S
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.058g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.321g/mol
Monoisotopic Mass:
282.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.