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7-hexyl-3,11-dithia-7-azatricyclo[6.3.0.0²,?]undeca-1(8),2(6),4,9-tetraene

7-hexyl-3,11-dithia-7-azatricyclo[6.3.0.0²,?]undeca-1(8),2(6),4,9-tetraene

CAS: 427875-87-4

Formula: C14H17NS2

SMILES: CCCCCCN1C2=C(SC=C2)C2=C1C=CS2

IUPAC: 7-hexyl-3,11-dithia-7-azatricyclo[6.3.0.0²,?]undeca-1(8),2(6),4,9-tetraene

InChI: InChI=1S/C14H17NS2/c1-2-3-4-5-8-15-11-6-9-16-13(11)14-12(15)7-10-17-14/h6-7,9-10H,2-5,8H2,1H3

Composition: C (63.84%), H (6.51%), N (5.32%), S (24.34%)

Molar Mass: 263.42

Atom Count: 34

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 263.080241899
Formal Charge 0
FSP3 0.43
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey AMUYHSCQMWBWKE-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 75.22
Topological Polar Surface Area 4.93
Polarizability 31.35
Ring Count 3
Rotatable Bond Count 5

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