1,3-benzothiazole-2-sulfonyl fluoride

1,3-benzothiazole-2-sulfonyl fluoride

CAS: 878376-34-2

Formula: C7H4FNO2S2

SMILES: FS(=O)(=O)C1=NC2=CC=CC=C2S1

IUPAC: 1,3-benzothiazole-2-sulfonyl fluoride

InChI: InChI=1S/C7H4FNO2S2/c8-13(10,11)7-9-5-3-1-2-4-6(5)12-7/h1-4H

Composition: C (38.70%), H (1.86%), F (8.75%), N (6.45%), O (14.73%), S (29.52%)

Molar Mass: 217.23

Atom Count: 17

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	216.966748884
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	WNKAAUWKENUQEO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.16
Topological Polar Surface Area	47.03
Polarizability	19.62
Ring Count	2
Rotatable Bond Count	1

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