12-chloro-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0²,?]dodeca-1(12),2(6),8,10-tetraene

12-chloro-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0²,?]dodeca-1(12),2(6),8,10-tetraene

CAS: 300816-24-4

Formula: C10H9ClN2S

SMILES: CC1=NC(Cl)=C2C3=C(CCC3)SC2=N1

IUPAC: 12-chloro-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0²,?]dodeca-1(12),2(6),8,10-tetraene

InChI: InChI=1S/C10H9ClN2S/c1-5-12-9(11)8-6-3-2-4-7(6)14-10(8)13-5/h2-4H2,1H3

Composition: C (53.45%), H (4.04%), Cl (15.78%), N (12.47%), S (14.27%)

Molar Mass: 224.71

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	224.0174972
Formal Charge	0
FSP3	0.4
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	INKZGTQKVYLRPM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.32
Topological Polar Surface Area	25.78
Polarizability	22.42
Ring Count	3
Rotatable Bond Count	0

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