7-methyl-6-phenyl-3-(thiophen-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

7-methyl-6-phenyl-3-(thiophen-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

CAS: 860785-87-1

Formula: C15H12N4S2

SMILES: CC1SC2=NN=C(N2N=C1C1=CC=CC=C1)C1=CC=CS1

IUPAC: 7-methyl-6-phenyl-3-(thiophen-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

InChI: InChI=1/C15H12N4S2/c1-10-13(11-6-3-2-4-7-11)18-19-14(12-8-5-9-20-12)16-17-15(19)21-10/h2-10H,1H3

Composition: C (57.67%), H (3.87%), N (17.93%), S (20.52%)

Molar Mass: 312.41

Atom Count: 33

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	312.05033875
Formal Charge	0
FSP3	0.13
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	SOZMCXKJZPLYMU-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.86
Topological Polar Surface Area	43.07
Polarizability	33.38
Ring Count	4
Rotatable Bond Count	2

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