Home Aminos 1-amino-3-(2,2,2-trifluoroethyl)thiourea

1-amino-3-(2,2,2-trifluoroethyl)thiourea

CAS No.:
1092300-87-2
Catalog Number:
AG01A7QF
Molecular Formula:
C3H6F3N3S
Molecular Weight:
173.1600
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Product Description
Catalog Number:
AG01A7QF
Chemical Name:
1-amino-3-(2,2,2-trifluoroethyl)thiourea
CAS Number:
1092300-87-2
Molecular Formula:
C3H6F3N3S
Molecular Weight:
173.1600
MDL Number:
MFCD10689812
IUPAC Name:
1-amino-3-(2,2,2-trifluoroethyl)thiourea
InChI:
InChI=1S/C3H6F3N3S/c4-3(5,6)1-8-2(10)9-7/h1,7H2,(H2,8,9,10)
InChI Key:
PNDLMDHLOFBFTI-UHFFFAOYSA-N
SMILES:
NNC(=S)NCC(F)(F)F
Properties
Complexity:
123  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.023g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
173.157g/mol
Monoisotopic Mass:
173.023g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties