tert-butyl[(3-methylthiophen-2-yl)methyl]amine hydrochloride

tert-butyl[(3-methylthiophen-2-yl)methyl]amine hydrochloride

CAS: 1050479-95-2

Formula: C10H18ClNS

SMILES: Cl.CC1=C(CNC(C)(C)C)SC=C1

IUPAC: tert-butyl[(3-methylthiophen-2-yl)methyl]amine hydrochloride

InChI: InChI=1S/C10H17NS.ClH/c1-8-5-6-12-9(8)7-11-10(2,3)4;/h5-6,11H,7H2,1-4H3;1H

Composition: C (54.65%), H (8.26%), Cl (16.13%), N (6.37%), S (14.59%)

Molar Mass: 219.77

Atom Count: 31

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	219.0848485
Formal Charge	0
FSP3	0.6
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	IIDHRXYQBMFEFH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.04
Topological Polar Surface Area	12.03
Polarizability	21.47
Ring Count	1
Rotatable Bond Count	3

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