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

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

CAS: 1048664-80-7

Formula: C10H18ClNOS

SMILES: Cl.CC1=CC=C(CNC(C)(C)CO)S1

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

InChI: InChI=1S/C10H17NOS.ClH/c1-8-4-5-9(13-8)6-11-10(2,3)7-12;/h4-5,11-12H,6-7H2,1-3H3;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 0
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 CSSHTSZPHQOQDS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.6
Topological Polar Surface Area 32.26
Polarizability 22.09
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <4 Days 1048664-80-7 $58.65-$232.30$58.65$232.30
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