1-(6-methoxy-1,3-benzothiazol-2-yl)methanamine

1-(6-methoxy-1,3-benzothiazol-2-yl)methanamine

CAS: 933742-62-2

Formula: C9H10N2OS

SMILES: COC1=CC=C2N=C(CN)SC2=C1

IUPAC: 1-(6-methoxy-1,3-benzothiazol-2-yl)methanamine

InChI: InChI=1S/C9H10N2OS/c1-12-6-2-3-7-8(4-6)13-9(5-10)11-7/h2-4H,5,10H2,1H3

Composition: C (55.65%), H (5.19%), N (14.42%), O (8.24%), S (16.50%)

Molar Mass: 194.25

Atom Count: 23

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	194.051384124
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	SECWFYLMUGUXLS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.39
Topological Polar Surface Area	48.14
Polarizability	21.5
Ring Count	2
Rotatable Bond Count	2

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