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458-05-9 | 1-(3-Fluorophenyl)thiourea
CAS No: 458-05-9 Catalog No: AG003CX0 MDL No:MFCD00041167
Product Description
Catalog Number:
AG003CX0
Chemical Name:
1-(3-Fluorophenyl)thiourea
CAS Number:
458-05-9
Molecular Formula:
C7H7FN2S
Molecular Weight:
170.2073
MDL Number:
MFCD00041167
IUPAC Name:
(3-fluorophenyl)thiourea
InChI:
InChI=1S/C7H7FN2S/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,(H3,9,10,11)
InChI Key:
YKOBLHQALWQKTC-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1cccc(c1)F
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.031g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
170.205g/mol
Monoisotopic Mass:
170.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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