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2-[(2,4-dimethylphenyl)sulfanyl]aniline

2-[(2,4-dimethylphenyl)sulfanyl]aniline

CAS: 1019453-85-0

Formula: C14H15NS

SMILES: CC1=CC=C(SC2=CC=CC=C2N)C(C)=C1

IUPAC: 2-[(2,4-dimethylphenyl)sulfanyl]aniline

InChI: InChI=1S/C14H15NS/c1-10-7-8-13(11(2)9-10)16-14-6-4-3-5-12(14)15/h3-9H,15H2,1-2H3

Composition: C (73.32%), H (6.59%), N (6.11%), S (13.98%)

Molar Mass: 229.34

Atom Count: 31

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 229.092520661
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey BJHMYQKFVFJZDC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.52
Topological Polar Surface Area 26.02
Polarizability 27.68
Ring Count 2
Rotatable Bond Count 2

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