200,000+ products from a single source!
sales@angenechem.com
14372-79-3 | Thiocyanic acid, 6-methoxy-2-benzothiazolyl ester
CAS No: 14372-79-3 Catalog No: AG001I9G MDL No:
Product Description
Catalog Number:
AG001I9G
Chemical Name:
Thiocyanic acid, 6-methoxy-2-benzothiazolyl ester
CAS Number:
14372-79-3
Molecular Formula:
C9H6N2OS2
Molecular Weight:
222.2867
IUPAC Name:
(6-methoxy-1,3-benzothiazol-2-yl) thiocyanate
InChI:
InChI=1S/C9H6N2OS2/c1-12-6-2-3-7-8(4-6)14-9(11-7)13-5-10/h2-4H,1H3
InChI Key:
VJFNWEWIHAFHQL-UHFFFAOYSA-N
SMILES:
N#CSc1nc2c(s1)cc(cc2)OC
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.992g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.28g/mol
Monoisotopic Mass:
221.992g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.