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Home > Fluorides > 1263376-10-8
1263376-10-8 | 2-Methyl-3-trifluoromethylphenylthiourea
CAS No: 1263376-10-8 Catalog No: AG01FBXN MDL No:MFCD18379871
Product Description
Catalog Number:
AG01FBXN
Chemical Name:
2-Methyl-3-trifluoromethylphenylthiourea
CAS Number:
1263376-10-8
Molecular Formula:
C9H9F3N2S
Molecular Weight:
234.2414
MDL Number:
MFCD18379871
IUPAC Name:
[2-methyl-3-(trifluoromethyl)phenyl]thiourea
InChI:
InChI=1S/C9H9F3N2S/c1-5-6(9(10,11)12)3-2-4-7(5)14-8(13)15/h2-4H,1H3,(H3,13,14,15)
InChI Key:
XYUMJKDINXYQQC-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1cccc(c1C)C(F)(F)F
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.044g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.24g/mol
Monoisotopic Mass:
234.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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