4-bromo-3,11-dithiatricyclo[6.3.0.0²,?]undeca-1(8),2(6),4,9-tetraen-7-one

4-bromo-3,11-dithiatricyclo[6.3.0.0²,?]undeca-1(8),2(6),4,9-tetraen-7-one

CAS: 942398-52-9

Formula: C9H3BrOS2

SMILES: BrC1=CC2=C(S1)C1=C(C=CS1)C2=O

IUPAC: 4-bromo-3,11-dithiatricyclo[6.3.0.0²,?]undeca-1(8),2(6),4,9-tetraen-7-one

InChI: InChI=1S/C9H3BrOS2/c10-6-3-5-7(11)4-1-2-12-8(4)9(5)13-6/h1-3H

Composition: C (39.87%), H (1.12%), Br (29.47%), O (5.90%), S (23.65%)

Molar Mass: 271.15

Atom Count: 16

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	269.88087
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	NTVWXECIUDQAJT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.27
Topological Polar Surface Area	17.07
Polarizability	22.84
Ring Count	3
Rotatable Bond Count	0

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