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13920-91-7 | Benzenamine, 2-(ethylthio)-
CAS No: 13920-91-7 Catalog No: AG001AHJ MDL No:MFCD08691983
Product Description
Catalog Number:
AG001AHJ
Chemical Name:
Benzenamine, 2-(ethylthio)-
CAS Number:
13920-91-7
Molecular Formula:
C8H11NS
Molecular Weight:
153.2446
MDL Number:
MFCD08691983
IUPAC Name:
2-ethylsulfanylaniline
InChI:
InChI=1S/C8H11NS/c1-2-10-8-6-4-3-5-7(8)9/h3-6H,2,9H2,1H3
InChI Key:
OXFMPJRLJLBBRQ-UHFFFAOYSA-N
SMILES:
CCSc1ccccc1N
Properties
Complexity:
95.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.061g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.243g/mol
Monoisotopic Mass:
153.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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