Home Other Building Blocks 2,5-difluorobenzene-1-carbothioamide

2,5-difluorobenzene-1-carbothioamide

CAS No.:
1029623-72-0
Catalog Number:
AG01BBZ2
Molecular Formula:
C7H5F2NS
Molecular Weight:
173.1831
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Product Description
Catalog Number:
AG01BBZ2
Chemical Name:
2,5-difluorobenzene-1-carbothioamide
CAS Number:
1029623-72-0
Molecular Formula:
C7H5F2NS
Molecular Weight:
173.1831
MDL Number:
MFCD09757552
IUPAC Name:
2,5-difluorobenzenecarbothioamide
InChI:
InChI=1S/C7H5F2NS/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H2,10,11)
InChI Key:
SUFZOIVUVDOCQQ-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C(=S)N)F
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.011g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
173.181g/mol
Monoisotopic Mass:
173.011g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties