Home Other Building Blocks 2-fluoro-6-methoxybenzene-1-carbothioamide

2-fluoro-6-methoxybenzene-1-carbothioamide

CAS No.:
1153059-33-6
Catalog Number:
AG01C1EZ
Molecular Formula:
C8H8FNOS
Molecular Weight:
185.2186
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Product Description
Catalog Number:
AG01C1EZ
Chemical Name:
2-fluoro-6-methoxybenzene-1-carbothioamide
CAS Number:
1153059-33-6
Molecular Formula:
C8H8FNOS
Molecular Weight:
185.2186
MDL Number:
MFCD12088211
IUPAC Name:
2-fluoro-6-methoxybenzenecarbothioamide
InChI:
InChI=1S/C8H8FNOS/c1-11-6-4-2-3-5(9)7(6)8(10)12/h2-4H,1H3,(H2,10,12)
InChI Key:
LFXVBMJNALXXCC-UHFFFAOYSA-N
SMILES:
COc1cccc(c1C(=S)N)F
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:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties