Home Other Building Blocks 2-Iodothioanisole

2-Iodothioanisole

CAS No.:
33775-94-9
Catalog Number:
AG003HH0
Molecular Formula:
C7H7IS
Molecular Weight:
250.1000
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$19
- +
5g
95%
In Stock USA
United States
$63
- +
25g
98%
In Stock USA
United States
$219
- +
100g
98%
In Stock USA
United States
$510
- +
Product Description
Catalog Number:
AG003HH0
Chemical Name:
2-Iodothioanisole
CAS Number:
33775-94-9
Molecular Formula:
C7H7IS
Molecular Weight:
250.1000
MDL Number:
MFCD00051611
IUPAC Name:
1-iodo-2-methylsulfanylbenzene
InChI:
InChI=1S/C7H7IS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
InChI Key:
YENHZHSFWAPGIR-UHFFFAOYSA-N
SMILES:
CSc1ccccc1I
Properties
Complexity:
85  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.931g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.097g/mol
Monoisotopic Mass:
249.931g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Literature
Title Journal
Synthesis of 2,3-disubstituted benzo[b]thiophenes via palladium-catalyzed coupling and electrophilic cyclization of terminal acetylenes. The Journal of organic chemistry 20020322
Properties