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(4S)-4-phenyl-7-thia-2,5-diazatricyclo[6.4.0.0²,?]dodeca-1(8),5,9,11-tetraene

(4S)-4-phenyl-7-thia-2,5-diazatricyclo[6.4.0.0²,?]dodeca-1(8),5,9,11-tetraene

CAS: 950194-37-3

Formula: C15H12N2S

SMILES: C1[C@@H](N=C2SC3=C(C=CC=C3)N12)C1=CC=CC=C1

IUPAC: (4S)-4-phenyl-7-thia-2,5-diazatricyclo[6.4.0.0²,?]dodeca-1(8),5,9,11-tetraene

InChI: InChI=1S/C15H12N2S/c1-2-6-11(7-3-1)12-10-17-13-8-4-5-9-14(13)18-15(17)16-12/h1-9,12H,10H2/t12-/m1/s1

Composition: C (71.40%), H (4.79%), N (11.10%), S (12.71%)

Molar Mass: 252.34

Atom Count: 30

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 252.072119568
Formal Charge 0
FSP3 0.13
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey YGCWPCVAVSIFLO-GFCCVEGCSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.21
Topological Polar Surface Area 15.6
Polarizability 28.92
Ring Count 4
Rotatable Bond Count 1

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