Home Other Building Blocks Benzenecarbothioamide, 3-fluoro-4-methyl-

Benzenecarbothioamide, 3-fluoro-4-methyl-

CAS No.:
175277-87-9
Catalog Number:
AG0020ST
Molecular Formula:
C8H8FNS
Molecular Weight:
169.2192
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Product Description
Catalog Number:
AG0020ST
Chemical Name:
Benzenecarbothioamide, 3-fluoro-4-methyl-
CAS Number:
175277-87-9
Molecular Formula:
C8H8FNS
Molecular Weight:
169.2192
MDL Number:
MFCD00275549
IUPAC Name:
3-fluoro-4-methylbenzenecarbothioamide
InChI:
InChI=1S/C8H8FNS/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H2,10,11)
InChI Key:
WFCXNRMNVWYANI-UHFFFAOYSA-N
SMILES:
NC(=S)c1ccc(c(c1)F)C
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.036g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
169.217g/mol
Monoisotopic Mass:
169.036g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties