sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks (2-Benzothiazolylthio)acetic acid

(2-Benzothiazolylthio)acetic acid

CAS No.:
6295-57-4
Catalog Number:
AG003BLP
Molecular Formula:
C9H7NO2S2
Molecular Weight:
225.2874
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$13
- +
5g
95%
In Stock USA
United States
$23
- +
25g
95%
In Stock USA
United States
$34
- +
100g
95%
In Stock USA
United States
$69
- +
500g
95%
In Stock USA
United States
$250
- +
Product Description
Catalog Number:
AG003BLP
Chemical Name:
(2-Benzothiazolylthio)acetic acid
CAS Number:
6295-57-4
Molecular Formula:
C9H7NO2S2
Molecular Weight:
225.2874
MDL Number:
MFCD00227391
IUPAC Name:
2-(1,3-benzothiazol-2-ylsulfanyl)acetic acid
InChI:
InChI=1S/C9H7NO2S2/c11-8(12)5-13-9-10-6-3-1-2-4-7(6)14-9/h1-4H,5H2,(H,11,12)
InChI Key:
ZZUQWNYNSKJLPI-UHFFFAOYSA-N
SMILES:
OC(=O)CSc1nc2c(s1)cccc2
EC Number:
228-565-0
UNII:
9H400WTE52
NSC Number:
11891
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.992g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.28g/mol
Monoisotopic Mass:
224.992g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties