7-isothiocyanato-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide

7-isothiocyanato-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide

CAS: 147611-81-2

Formula: C9H8N4O3S2

SMILES: CN(C)S(=O)(=O)C1=CC=C(N=C=S)C2=NON=C12

IUPAC: 7-isothiocyanato-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide

InChI: InChI=1S/C9H8N4O3S2/c1-13(2)18(14,15)7-4-3-6(10-5-17)8-9(7)12-16-11-8/h3-4H,1-2H3

Composition: C (38.02%), H (2.84%), N (19.71%), O (16.88%), S (22.55%)

Molar Mass: 284.31

Atom Count: 26

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	284.003782482
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	SUOZAUUDBKHLHQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.15
Topological Polar Surface Area	88.66
Polarizability	27.69
Ring Count	2
Rotatable Bond Count	2

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