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Home Other Building Blocks 4-Bromo-6-t-butyl-2-mercaptobenzothiazole

4-Bromo-6-t-butyl-2-mercaptobenzothiazole

CAS No.:
1199773-20-0
Catalog Number:
AG000PXM
Molecular Formula:
C11H12BrNS2
Molecular Weight:
302.2537
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$100
- +
5g
95%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG000PXM
Chemical Name:
4-Bromo-6-t-butyl-2-mercaptobenzothiazole
CAS Number:
1199773-20-0
Molecular Formula:
C11H12BrNS2
Molecular Weight:
302.2537
MDL Number:
MFCD13195713
IUPAC Name:
4-bromo-6-tert-butyl-3H-1,3-benzothiazole-2-thione
InChI:
InChI=1S/C11H12BrNS2/c1-11(2,3)6-4-7(12)9-8(5-6)15-10(14)13-9/h4-5H,1-3H3,(H,13,14)
InChI Key:
AOKOFHNXNYZDHR-UHFFFAOYSA-N
SMILES:
CC(c1cc(Br)c2c(c1)sc(=S)[nH]2)(C)C
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.959g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
302.248g/mol
Monoisotopic Mass:
300.959g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Properties