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

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

CAS: 56278-50-3

Formula: C9H6N2S

SMILES: N#CCC1=NC2=CC=CC=C2S1

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

InChI: InChI=1S/C9H6N2S/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5H2

Composition: C (62.05%), H (3.47%), N (16.08%), S (18.40%)

Molar Mass: 174.22

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	174.025169375
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ZMZSYUSDGRJZNT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.89
Topological Polar Surface Area	36.68
Polarizability	19.15
Ring Count	2
Rotatable Bond Count	1

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