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116222-42-5

116222-42-5 | Phenol, 5-methyl-2,4-bis(methylthio)-

CAS No: 116222-42-5 Catalog No: AG000BYC MDL No:

Product Description

Catalog Number:
AG000BYC
Chemical Name:
Phenol, 5-methyl-2,4-bis(methylthio)-
CAS Number:
116222-42-5
Molecular Formula:
C9H12OS2
Molecular Weight:
200.3210
IUPAC Name:
5-methyl-2,4-bis(methylsulfanyl)phenol
InChI:
InChI=1S/C9H12OS2/c1-6-4-7(10)9(12-3)5-8(6)11-2/h4-5,10H,1-3H3
InChI Key:
IJFAEFLYKFSJOM-UHFFFAOYSA-N
SMILES:
CSc1cc(SC)c(cc1C)O

Properties

Complexity:
141  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.033g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.314g/mol
Monoisotopic Mass:
200.033g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

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