200,000+ products from a single source!
sales@angenechem.com
42517-38-4 | Benzothiazole, 6-isothiocyanato-2-methoxy- (9CI)
CAS No: 42517-38-4 Catalog No: AG00CPIF MDL No:
Product Description
Catalog Number:
AG00CPIF
Chemical Name:
Benzothiazole, 6-isothiocyanato-2-methoxy- (9CI)
CAS Number:
42517-38-4
IUPAC Name:
6-isothiocyanato-2-methoxy-1,3-benzothiazole
InChI:
InChI=1S/C9H6N2OS2/c1-12-9-11-7-3-2-6(10-5-13)4-8(7)14-9/h2-4H,1H3
InChI Key:
CDMGDVBAMGRJLZ-UHFFFAOYSA-N
Properties
Complexity:
255
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:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.