ethyl({[4-(methylsulfanyl)phenyl]methyl})amine hydrochloride

ethyl({[4-(methylsulfanyl)phenyl]methyl})amine hydrochloride

CAS: 1049773-81-0

Formula: C10H16ClNS

SMILES: Cl.CCNCC1=CC=C(SC)C=C1

IUPAC: ethyl({[4-(methylsulfanyl)phenyl]methyl})amine hydrochloride

InChI: InChI=1S/C10H15NS.ClH/c1-3-11-8-9-4-6-10(12-2)7-5-9;/h4-7,11H,3,8H2,1-2H3;1H

Composition: C (55.16%), H (7.41%), Cl (16.28%), N (6.43%), S (14.72%)

Molar Mass: 217.76

Atom Count: 29

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	217.0691984
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	LHUNJCCKLPLILP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.81
Topological Polar Surface Area	12.03
Polarizability	22.31
Ring Count	1
Rotatable Bond Count	4

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