methyl({3-[(4-methylphenyl)sulfanyl]propyl})amine hydrochloride

methyl({3-[(4-methylphenyl)sulfanyl]propyl})amine hydrochloride

CAS: 1609406-59-8

Formula: C11H18ClNS

SMILES: Cl.CNCCCSC1=CC=C(C)C=C1

IUPAC: methyl({3-[(4-methylphenyl)sulfanyl]propyl})amine hydrochloride

InChI: InChI=1S/C11H17NS.ClH/c1-10-4-6-11(7-5-10)13-9-3-8-12-2;/h4-7,12H,3,8-9H2,1-2H3;1H

Composition: C (57.00%), H (7.83%), Cl (15.29%), N (6.04%), S (13.83%)

Molar Mass: 231.78

Atom Count: 32

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	231.0848485
Formal Charge	0
FSP3	0.45
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	KSRUSKLRKUZUAW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.5
Topological Polar Surface Area	12.03
Polarizability	24.08
Ring Count	1
Rotatable Bond Count	5

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