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3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride

3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride

CAS: 5424-47-5

Formula: C9H14ClNOS

SMILES: Cl.CN(C)CCC(=O)C1=CC=CS1

IUPAC: 3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride

InChI: InChI=1S/C9H13NOS.ClH/c1-10(2)6-5-8(11)9-4-3-7-12-9;/h3-4,7H,5-6H2,1-2H3;1H

Composition: C (49.20%), H (6.42%), Cl (16.13%), N (6.37%), O (7.28%), S (14.59%)

Molar Mass: 219.73

Atom Count: 27

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 219.0484629
Formal Charge 0
FSP3 0.44
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey HPVHJPMLORARSR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.48
Topological Polar Surface Area 20.31
Polarizability 19.78
Ring Count 1
Rotatable Bond Count 4

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