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872513-59-2 | Benzenamine, 2-[[2,6-bis(1-methylethyl)phenyl]thio]-
CAS No: 872513-59-2 Catalog No: AG004MKQ MDL No:
Product Description
Catalog Number:
AG004MKQ
Chemical Name:
Benzenamine, 2-[[2,6-bis(1-methylethyl)phenyl]thio]-
CAS Number:
872513-59-2
Molecular Formula:
C18H23NS
Molecular Weight:
285.4469
IUPAC Name:
2-[2,6-di(propan-2-yl)phenyl]sulfanylaniline
InChI:
InChI=1S/C18H23NS/c1-12(2)14-8-7-9-15(13(3)4)18(14)20-17-11-6-5-10-16(17)19/h5-13H,19H2,1-4H3
InChI Key:
AUGQKFWNTJGTLJ-UHFFFAOYSA-N
SMILES:
CC(c1cccc(c1Sc1ccccc1N)C(C)C)C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.155g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.449g/mol
Monoisotopic Mass:
285.155g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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