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100305-95-1 | Benzenamine, 2-methyl-6-(methylthio)-
CAS No: 100305-95-1 Catalog No: AG0001KE MDL No:MFCD13677164
Product Description
Catalog Number:
AG0001KE
Chemical Name:
Benzenamine, 2-methyl-6-(methylthio)-
CAS Number:
100305-95-1
Molecular Formula:
C8H11NS
Molecular Weight:
153.2446
MDL Number:
MFCD13677164
IUPAC Name:
2-methyl-6-methylsulfanylaniline
InChI:
InChI=1S/C8H11NS/c1-6-4-3-5-7(10-2)8(6)9/h3-5H,9H2,1-2H3
InChI Key:
OBTJYVQYCJYACZ-UHFFFAOYSA-N
SMILES:
CSc1cccc(c1N)C
Properties
Complexity:
105
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:
1
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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