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1-[3-(methylsulfanyl)phenyl]methanamine hydrochloride

1-[3-(methylsulfanyl)phenyl]methanamine hydrochloride

CAS: 869297-07-4

Formula: C8H12ClNS

SMILES: Cl.CSC1=CC(CN)=CC=C1

IUPAC: 1-[3-(methylsulfanyl)phenyl]methanamine hydrochloride

InChI: InChI=1S/C8H11NS.ClH/c1-10-8-4-2-3-7(5-8)6-9;/h2-5H,6,9H2,1H3;1H

Composition: C (50.65%), H (6.38%), Cl (18.69%), N (7.38%), S (16.90%)

Molar Mass: 189.7

Atom Count: 23

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 189.0378983
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey BSQUCPXNHLDJFZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.29
Topological Polar Surface Area 26.02
Polarizability 18.61
Ring Count 1
Rotatable Bond Count 2

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95% <4 Days 869297-07-4 $125.35-$1,998.70$125.35$354.20$1,521.45$1,998.70
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