Home Other Building Blocks 3-fluoro-4-hydroxybenzene-1-carbothioamide

3-fluoro-4-hydroxybenzene-1-carbothioamide

CAS No.:
1153271-82-9
Catalog Number:
AG01EMMQ
Molecular Formula:
C7H6FNOS
Molecular Weight:
171.1920
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Product Description
Catalog Number:
AG01EMMQ
Chemical Name:
3-fluoro-4-hydroxybenzene-1-carbothioamide
CAS Number:
1153271-82-9
Molecular Formula:
C7H6FNOS
Molecular Weight:
171.1920
MDL Number:
MFCD12110579
IUPAC Name:
3-fluoro-4-hydroxybenzenecarbothioamide
InChI:
InChI=1S/C7H6FNOS/c8-5-3-4(7(9)11)1-2-6(5)10/h1-3,10H,(H2,9,11)
InChI Key:
NJLAXIAWOZBWNN-UHFFFAOYSA-N
SMILES:
NC(=S)c1ccc(c(c1)F)O
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.015g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
171.189g/mol
Monoisotopic Mass:
171.015g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties