1-{[(3-methylthiophen-2-yl)methyl]amino}propan-2-ol hydrochloride

1-{[(3-methylthiophen-2-yl)methyl]amino}propan-2-ol hydrochloride

CAS: 1158503-07-1

Formula: C9H16ClNOS

SMILES: Cl.CC(O)CNCC1=C(C)C=CS1

IUPAC: 1-{[(3-methylthiophen-2-yl)methyl]amino}propan-2-ol hydrochloride

InChI: InChI=1/C9H15NOS.ClH/c1-7-3-4-12-9(7)6-10-5-8(2)11;/h3-4,8,10-11H,5-6H2,1-2H3;1H

Composition: C (48.75%), H (7.27%), Cl (15.99%), N (6.32%), O (7.22%), S (14.46%)

Molar Mass: 221.74

Atom Count: 29

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	221.064113
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	UMAKAFIUEGBJOU-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.95
Topological Polar Surface Area	32.26
Polarizability	20.25
Ring Count	1
Rotatable Bond Count	4

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