200,000+ products from a single source!
sales@angenechem.com
864376-04-5 | Benzothiazole, 6-ethynyl-
CAS No: 864376-04-5 Catalog No: AG00IE2G MDL No:MFCD11846176
Product Description
Catalog Number:
AG00IE2G
Chemical Name:
Benzothiazole, 6-ethynyl-
CAS Number:
864376-04-5
Molecular Formula:
C9H5NS
Molecular Weight:
159.2077
MDL Number:
MFCD11846176
IUPAC Name:
6-ethynyl-1,3-benzothiazole
InChI:
InChI=1S/C9H5NS/c1-2-7-3-4-8-9(5-7)11-6-10-8/h1,3-6H
InChI Key:
WLAQOZDEVUECED-UHFFFAOYSA-N
SMILES:
C#Cc1ccc2c(c1)scn2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.014g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.206g/mol
Monoisotopic Mass:
159.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.