Home Aminos 3-amino-1-{4-[(difluoromethyl)sulfanyl]phenyl}thiourea

3-amino-1-{4-[(difluoromethyl)sulfanyl]phenyl}thiourea

CAS No.:
721910-08-3
Catalog Number:
AG019HKO
Molecular Formula:
C8H9F2N3S2
Molecular Weight:
249.3040
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Product Description
Catalog Number:
AG019HKO
Chemical Name:
3-amino-1-{4-[(difluoromethyl)sulfanyl]phenyl}thiourea
CAS Number:
721910-08-3
Molecular Formula:
C8H9F2N3S2
Molecular Weight:
249.3040
MDL Number:
MFCD03954434
IUPAC Name:
1-amino-3-[4-(difluoromethylsulfanyl)phenyl]thiourea
InChI:
InChI=1S/C8H9F2N3S2/c9-7(10)15-6-3-1-5(2-4-6)12-8(14)13-11/h1-4,7H,11H2,(H2,12,13,14)
InChI Key:
XBRSXLNWZPRQIP-UHFFFAOYSA-N
SMILES:
NNC(=S)Nc1ccc(cc1)SC(F)F
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.021g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
249.298g/mol
Monoisotopic Mass:
249.021g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties