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79650-88-7 | Thiourea, [imino[(2,2,2-trifluoroethyl)amino]methyl]-
CAS No: 79650-88-7 Catalog No: AG00514N MDL No:
Product Description
Catalog Number:
AG00514N
Chemical Name:
Thiourea, [imino[(2,2,2-trifluoroethyl)amino]methyl]-
CAS Number:
79650-88-7
Molecular Formula:
C4H7F3N4S
Molecular Weight:
200.1854
IUPAC Name:
[N'-(2,2,2-trifluoroethyl)carbamimidoyl]thiourea
InChI:
InChI=1S/C4H7F3N4S/c5-4(6,7)1-10-2(8)11-3(9)12/h1H2,(H5,8,9,10,11,12)
InChI Key:
QGVJGVSOYVPOGX-UHFFFAOYSA-N
SMILES:
N=C(NC(=S)N)NCC(F)(F)F
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.034g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
200.183g/mol
Monoisotopic Mass:
200.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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