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5,9-dithiatricyclo[6.3.0.0²,?]undeca-1(8),2(6),3,10-tetraene

5,9-dithiatricyclo[6.3.0.0²,?]undeca-1(8),2(6),3,10-tetraene

CAS: 389-55-9

Formula: C9H6S2

SMILES: C1C2=C(C=CS2)C2=C1SC=C2

IUPAC: 5,9-dithiatricyclo[6.3.0.0²,?]undeca-1(8),2(6),3,10-tetraene

InChI: InChI=1S/C9H6S2/c1-3-10-8-5-9-7(6(1)8)2-4-11-9/h1-4H,5H2

Composition: C (60.64%), H (3.39%), S (35.97%)

Molar Mass: 178.27

Atom Count: 17

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 177.991092541
Formal Charge 0
FSP3 0.11
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey BSHCQCQFFCOGEC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.92
Topological Polar Surface Area 0
Polarizability 19.61
Ring Count 3
Rotatable Bond Count 0

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 389-55-9 $2,200.00-$5,040.00$2,200.00$3,300.00$5,040.00
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