1-(1,3-benzothiazol-2-yl)methanamine hydrochloride

1-(1,3-benzothiazol-2-yl)methanamine hydrochloride

CAS: 29198-41-2

Formula: C8H9ClN2S

SMILES: Cl.NCC1=NC2=CC=CC=C2S1

IUPAC: 1-(1,3-benzothiazol-2-yl)methanamine hydrochloride

InChI: InChI=1S/C8H8N2S.ClH/c9-5-8-10-6-3-1-2-4-7(6)11-8;/h1-4H,5,9H2;1H

Composition: C (47.88%), H (4.52%), Cl (17.66%), N (13.96%), S (15.98%)

Molar Mass: 200.68

Atom Count: 21

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	200.0174972
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	WCZDQDCFSDCIIC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.93
Topological Polar Surface Area	38.91
Polarizability	19.01
Ring Count	2
Rotatable Bond Count	1

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