200,000+ products from a single source!
sales@angenechem.com
80087-70-3 | 2(3H)-Benzothiazolethione,5,6-dimethyl-(9CI)
CAS No: 80087-70-3 Catalog No: AG00G608 MDL No:MFCD26743454
Product Description
Catalog Number:
AG00G608
Chemical Name:
2(3H)-Benzothiazolethione,5,6-dimethyl-(9CI)
CAS Number:
80087-70-3
Molecular Formula:
C9H9NS2
Molecular Weight:
195.3045
MDL Number:
MFCD26743454
IUPAC Name:
5,6-dimethyl-3H-1,3-benzothiazole-2-thione
InChI:
InChI=1S/C9H9NS2/c1-5-3-7-8(4-6(5)2)12-9(11)10-7/h3-4H,1-2H3,(H,10,11)
InChI Key:
FFQWZJULSCUVRK-UHFFFAOYSA-N
SMILES:
Sc1sc2c(n1)cc(c(c2)C)C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.018g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.298g/mol
Monoisotopic Mass:
195.018g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.