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89563-46-2 | Thiourea, N-methyl-N-(2,2,2-trifluoroethyl)-
CAS No: 89563-46-2 Catalog No: AG003Y7E MDL No:
Product Description
Catalog Number:
AG003Y7E
Chemical Name:
Thiourea, N-methyl-N-(2,2,2-trifluoroethyl)-
CAS Number:
89563-46-2
Molecular Formula:
C4H7F3N2S
Molecular Weight:
172.1720
IUPAC Name:
1-methyl-1-(2,2,2-trifluoroethyl)thiourea
InChI:
InChI=1S/C4H7F3N2S/c1-9(3(8)10)2-4(5,6)7/h2H2,1H3,(H2,8,10)
InChI Key:
YPHCOSGGYJUJEB-UHFFFAOYSA-N
SMILES:
CN(C(=S)N)CC(F)(F)F
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.028g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.169g/mol
Monoisotopic Mass:
172.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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