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

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

CAS: 42182-65-0

Formula: C8H8N2S

SMILES: NCC1=NC2=CC=CC=C2S1

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

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

Composition: C (58.51%), H (4.91%), N (17.06%), S (19.52%)

Molar Mass: 164.23

Atom Count: 19

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	164.04081944
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	VLBUERZRFSORRZ-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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