methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amine dihydrochloride

methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amine dihydrochloride

CAS: 1269036-35-2

Formula: C9H16Cl2N2S

SMILES: Cl.Cl.CNCC1=NC2=C(CCCC2)S1

IUPAC: methyl[(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]amine dihydrochloride

InChI: InChI=1S/C9H14N2S.2ClH/c1-10-6-9-11-7-4-2-3-5-8(7)12-9;;/h10H,2-6H2,1H3;2*1H

Composition: C (42.36%), H (6.32%), Cl (27.78%), N (10.98%), S (12.56%)

Molar Mass: 255.2

Atom Count: 30

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	254.0411251
Formal Charge	0
FSP3	0.67
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	PWZKKCKWJKEVNI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.84
Topological Polar Surface Area	24.92
Polarizability	19.78
Ring Count	2
Rotatable Bond Count	2

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