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

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

CAS: 24793-01-9

Formula: C9H6N2S2

SMILES: N#CCSC1=NC2=CC=CC=C2S1

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

InChI: InChI=1S/C9H6N2S2/c10-5-6-12-9-11-7-3-1-2-4-8(7)13-9/h1-4H,6H2

Composition: C (52.40%), H (2.93%), N (13.58%), S (31.08%)

Molar Mass: 206.28

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	205.997240549
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	GWSJKSFGUSSSKQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.57
Topological Polar Surface Area	36.68
Polarizability	22.22
Ring Count	2
Rotatable Bond Count	2

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