12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2,4,6-tetraen-3-amine

12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2,4,6-tetraen-3-amine

CAS: 65413-58-3

Formula: C11H13N3OS

SMILES: CC1(C)CC2=C(CO1)SC1=NC=NC(N)=C21

IUPAC: 12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2,4,6-tetraen-3-amine

InChI: InChI=1S/C11H13N3OS/c1-11(2)3-6-7(4-15-11)16-10-8(6)9(12)13-5-14-10/h5H,3-4H2,1-2H3,(H2,12,13,14)

Composition: C (56.15%), H (5.57%), N (17.86%), O (6.80%), S (13.62%)

Molar Mass: 235.31

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	235.077933225
Formal Charge	0
FSP3	0.45
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	IPQMQCWBHBHOLZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.75
Topological Polar Surface Area	61.03
Polarizability	24.29
Ring Count	3
Rotatable Bond Count	0

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