2-[(2,4-dinitrophenyl)sulfanyl]-1,3-benzothiazole

2-[(2,4-dinitrophenyl)sulfanyl]-1,3-benzothiazole

CAS: 17586-89-9

Formula: C13H7N3O4S2

SMILES: [O-][N+](=O)C1=CC(=C(SC2=NC3=CC=CC=C3S2)C=C1)[N+]([O-])=O

IUPAC: 2-[(2,4-dinitrophenyl)sulfanyl]-1,3-benzothiazole

InChI: InChI=1S/C13H7N3O4S2/c17-15(18)8-5-6-12(10(7-8)16(19)20)22-13-14-9-3-1-2-4-11(9)21-13/h1-7H

Composition: C (46.84%), H (2.12%), N (12.61%), O (19.20%), S (19.24%)

Molar Mass: 333.34

Atom Count: 29

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	332.987798065
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	RCPUUVXIUIWMEE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.93
Topological Polar Surface Area	99.17
Polarizability	32.07
Ring Count	3
Rotatable Bond Count	4

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98%	<14 Days	17586-89-9		Quote Only