200,000+ products from a single source!
sales@angenechem.com
877463-42-8 | 6-Benzothiazolesulfonic acid, 3-ethyl-2,3-dihydro-2-imino-
CAS No: 877463-42-8 Catalog No: AG004IMS MDL No:
Product Description
Catalog Number:
AG004IMS
Chemical Name:
6-Benzothiazolesulfonic acid, 3-ethyl-2,3-dihydro-2-imino-
CAS Number:
877463-42-8
Molecular Formula:
C9H10N2O3S2
Molecular Weight:
258.3173
IUPAC Name:
3-ethyl-2-imino-1,3-benzothiazole-6-sulfonic acid
InChI:
InChI=1S/C9H10N2O3S2/c1-2-11-7-4-3-6(16(12,13)14)5-8(7)15-9(11)10/h3-5,10H,2H2,1H3,(H,12,13,14)
InChI Key:
DETAOMFYQCRYDO-UHFFFAOYSA-N
SMILES:
CCn1c(=N)sc2c1ccc(c2)S(=O)(=O)O
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.013g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.31g/mol
Monoisotopic Mass:
258.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.