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2-{[(5-methylthiophen-2-yl)methyl]amino}butan-1-ol hydrochloride

2-{[(5-methylthiophen-2-yl)methyl]amino}butan-1-ol hydrochloride

CAS: 1048673-63-7

Formula: C10H18ClNOS

SMILES: Cl.CCC(CO)NCC1=CC=C(C)S1

IUPAC: 2-{[(5-methylthiophen-2-yl)methyl]amino}butan-1-ol hydrochloride

InChI: InChI=1/C10H17NOS.ClH/c1-3-9(7-12)11-6-10-5-4-8(2)13-10;/h4-5,9,11-12H,3,6-7H2,1-2H3;1H

Composition: C (50.94%), H (7.70%), Cl (15.04%), N (5.94%), O (6.79%), S (13.60%)

Molar Mass: 235.77

Atom Count: 32

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 235.0797631
Formal Charge 0
FSP3 0.6
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey KHBMKPCMJNJLTF-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.49
Topological Polar Surface Area 32.26
Polarizability 22.09
Ring Count 1
Rotatable Bond Count 5

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