7-thia-2,5-diazatricyclo[6.4.0.0²,?]dodeca-1(8),5,9,11-tetraen-11-amine

7-thia-2,5-diazatricyclo[6.4.0.0²,?]dodeca-1(8),5,9,11-tetraen-11-amine

CAS: 78291-99-3

Formula: C9H9N3S

SMILES: NC1=CC2=C(SC3=NCCN23)C=C1

IUPAC: 7-thia-2,5-diazatricyclo[6.4.0.0²,?]dodeca-1(8),5,9,11-tetraen-11-amine

InChI: InChI=1S/C9H9N3S/c10-6-1-2-8-7(5-6)12-4-3-11-9(12)13-8/h1-2,5H,3-4,10H2

Composition: C (56.52%), H (4.74%), N (21.97%), S (16.76%)

Molar Mass: 191.25

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	191.051718476
Formal Charge	0
FSP3	0.22
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	HJCGGAYYNMECPO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.63
Topological Polar Surface Area	41.62
Polarizability	20.45
Ring Count	3
Rotatable Bond Count	0

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