Home Iodos 33775-94-9
33775-94-9,MFCD00051611
Catalog No.:AA003HE8
33775-94-9 | (2-Iodophenyl)(methyl)sulfane
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1g
95%
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$15.00
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5g
95%
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$50.00
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HE8
Chemical Name:
(2-Iodophenyl)(methyl)sulfane
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
Computed 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  

Synonyms
 
2-Iodothioanisole 
33775-94-9 
o-iodothioanisole 
ACMC-20ansu 
PubChem10668 
AC1MCV9S 
2-methylmercaptoiodobenzene 
2-iodo-1-methylthiobenzene 
SCHEMBL767433 
CTK1C6439 
DTXSID50384246 
ZINC153312 
(2-Iodophenyl)(methyl)sulfane 
Benzene, 1-iodo-2-(methylthio)- 
MFCD00051611 
AKOS009158539 
AS04299 
CM11822 
MCULE-7917145005 
RP28889 
VZ24810 
AC-16438 
AS-33046 
1-iodo-2-(methylthio)benzene 
U745 
ZB005398 
DB-021242 
TR-036529 
FT-0612689 
ST51041416 
Y-8804 
I09-1453 
I09-2824 
J-509737 
1-iodo-2-methylsulfanylbenzene 
C7H7IS 
ZINC00153312 
CID2801416 
2-Iodothioanisole, 96% - 25G 25g 
1-Iodo-2-methylsulfanyl-benzene 
2-(METHYLTHIO)IODOBENZENE 
1-iodo-2-(methylsulfanyl)benzene 
YENHZHSFWAPGIR-UHFFFAOYSA-N 
2-IODOPHENYL METHYL SULFIDE 
Literature

Title: Synthesis of 2,3-disubstituted benzo[b]thiophenes via palladium-catalyzed coupling and electrophilic cyclization of terminal acetylenes.

Journal: The Journal of organic chemistry 20020322

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