Home Nitriles 5-Benzothiazolecarbonitrile

5-Benzothiazolecarbonitrile

CAS No.:
58249-57-3
Catalog Number:
AG00EC9U
Molecular Formula:
C8H4N2S
Molecular Weight:
160.1958
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
1 week
United States
$82
- +
Product Description
Catalog Number:
AG00EC9U
Chemical Name:
5-Benzothiazolecarbonitrile
CAS Number:
58249-57-3
Molecular Formula:
C8H4N2S
Molecular Weight:
160.1958
MDL Number:
MFCD06659663
IUPAC Name:
1,3-benzothiazole-5-carbonitrile
InChI:
InChI=1S/C8H4N2S/c9-4-6-1-2-8-7(3-6)10-5-11-8/h1-3,5H
InChI Key:
KZWJUNXNZGVOOS-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)ncs2
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.01g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.194g/mol
Monoisotopic Mass:
160.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties