Home Other Building Blocks 4-ethoxy-3-fluorobenzene-1-carbothioamide

4-ethoxy-3-fluorobenzene-1-carbothioamide

CAS No.:
1153271-13-6
Catalog Number:
AG01BFP1
Molecular Formula:
C9H10FNOS
Molecular Weight:
199.2452
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Product Description
Catalog Number:
AG01BFP1
Chemical Name:
4-ethoxy-3-fluorobenzene-1-carbothioamide
CAS Number:
1153271-13-6
Molecular Formula:
C9H10FNOS
Molecular Weight:
199.2452
MDL Number:
MFCD12110542
IUPAC Name:
4-ethoxy-3-fluorobenzenecarbothioamide
InChI:
InChI=1S/C9H10FNOS/c1-2-12-8-4-3-6(9(11)13)5-7(8)10/h3-5H,2H2,1H3,(H2,11,13)
InChI Key:
HVYILDYOJGBTHI-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1F)C(=S)N
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.047g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
199.243g/mol
Monoisotopic Mass:
199.047g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties