Home Other Building Blocks 3-Fluoro-4-(methylthio)benzamide

3-Fluoro-4-(methylthio)benzamide

CAS No.:
238742-81-9
Catalog Number:
AG00I4M5
Molecular Formula:
C8H8FNOS
Molecular Weight:
185.2186
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Product Description
Catalog Number:
AG00I4M5
Chemical Name:
3-Fluoro-4-(methylthio)benzamide
CAS Number:
238742-81-9
Molecular Formula:
C8H8FNOS
Molecular Weight:
185.2186
MDL Number:
MFCD00673179
IUPAC Name:
3-fluoro-4-methylsulfanylbenzamide
InChI:
InChI=1S/C8H8FNOS/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,1H3,(H2,10,11)
InChI Key:
ZZKRQQWAYVQCCF-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1F)C(=O)N
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.031g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
185.216g/mol
Monoisotopic Mass:
185.031g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties