200,000+ products from a single source!
sales@angenechem.com
54237-36-4 | 2(3H)-Benzothiazolethione,7-methyl-(9CI)
CAS No: 54237-36-4 Catalog No: AG00DKWH MDL No:MFCD12756061
Product Description
Catalog Number:
AG00DKWH
Chemical Name:
2(3H)-Benzothiazolethione,7-methyl-(9CI)
CAS Number:
54237-36-4
Molecular Formula:
C8H7NS2
Molecular Weight:
181.2779
MDL Number:
MFCD12756061
IUPAC Name:
7-methyl-3H-1,3-benzothiazole-2-thione
InChI:
InChI=1S/C8H7NS2/c1-5-3-2-4-6-7(5)11-8(10)9-6/h2-4H,1H3,(H,9,10)
InChI Key:
CVYMKCJLRXOQBG-UHFFFAOYSA-N
SMILES:
Sc1nc2c(s1)c(C)ccc2
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.002g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.271g/mol
Monoisotopic Mass:
181.002g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.