2-(METHYLTHIO)PHENYLZINC IODIDE
Product Information
Molecular Formula
C7H7ISZn
Molecular Weight
315.49
Description
2-(Methylthio)phenylzinc iodide is utilized broadly in biomedicine, particularly in organic synthetic protocols for pharmaceuticals. It aids in the manufacture of drugs for treating various diseases like cardiovascular disorders and neurodegenerative diseases.
Synonyms
2-(METHYLTHIO)PHENYLZINC IODIDE; 2-(METHYLTHIO)PHENYLZINC IODIDE, 0.5M SO LUTION IN TETRAHYDROFURAN; 2-(methylthio)phenylzinc iodide solution
IUPAC Name
iodozinc(1+)methylsulfanylbenzene
SMILES
CSC1=CC=CC=[C-]1.[Zn+]I
InChI
InChI=1S/C7H7S.HI.Zn/c1-8-7-5-3-2-4-6-7;;/h2-5H,1H3;1H;/q-1;;+2/p-1
InChI Key
LRWSFIRLRHUIFL-UHFFFAOYSA-M
Flash Point
1.4 °F - closed cup
Purity
95%
Density
1.013
Storage
2-8°C
Safety Information
Hazards
H225 - H261 - H302 - H319 - H335 - H336 - H351
Precautionary Statement
P201 - P210 - P231 + P232 - P301 + P312 - P305 + P351 + P338 - P308 + P313
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
313.86046 g/mol
Monoisotopic Mass
313.86046 g/mol
Topological Polar Surface Area
25.3Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
161
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
2
Compound Is Canonicalized
Yes
