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

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

CAS: 1049755-55-6

Formula: C14H16ClNS

SMILES: Cl.CC1=CC=C(SC2=CC=C(N)C=C2)C(C)=C1

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

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

Composition: C (63.26%), H (6.07%), Cl (13.34%), N (5.27%), S (12.06%)

Molar Mass: 265.8

Atom Count: 33

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 265.0691984
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey DLQYXWSCPPGOJA-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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