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20295-60-7 | Ethanethiol, 2-[(4-fluorophenyl)amino]-
CAS No: 20295-60-7 Catalog No: AG0028KY MDL No:MFCD00022100
Product Description
Catalog Number:
AG0028KY
Chemical Name:
Ethanethiol, 2-[(4-fluorophenyl)amino]-
CAS Number:
20295-60-7
Molecular Formula:
C8H10FNS
Molecular Weight:
171.2351
MDL Number:
MFCD00022100
IUPAC Name:
2-(4-fluoroanilino)ethanethiol
InChI:
InChI=1S/C8H10FNS/c9-7-1-3-8(4-2-7)10-5-6-11/h1-4,10-11H,5-6H2
InChI Key:
XDVPEFZFQHGYDA-UHFFFAOYSA-N
SMILES:
SCCNc1ccc(cc1)F
NSC Number:
87559
Properties
Complexity:
102
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.052g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
171.233g/mol
Monoisotopic Mass:
171.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
13A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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