3-{[(5-nitro-1H-1,3-benzodiazol-2-yl)methyl]sulfanyl}-7-thia-2,4,5-triazatricyclo[6.4.0.0²,?]dodeca-1(12),3,5,8,10-pentaene

3-{[(5-nitro-1H-1,3-benzodiazol-2-yl)methyl]sulfanyl}-7-thia-2,4,5-triazatricyclo[6.4.0.0²,?]dodeca-1(12),3,5,8,10-pentaene

Formula: C16H10N6O2S2

SMILES: [O-][N+](=O)C1=CC=C2NC(CSC3=NN=C4SC5=CC=CC=C5N34)=NC2=C1

IUPAC: 3-{[(5-nitro-1H-1,3-benzodiazol-2-yl)methyl]sulfanyl}-7-thia-2,4,5-triazatricyclo[6.4.0.0²,?]dodeca-1(12),3,5,8,10-pentaene

InChI: InChI=1S/C16H10N6O2S2/c23-22(24)9-5-6-10-11(7-9)18-14(17-10)8-25-15-19-20-16-21(15)12-3-1-2-4-13(12)26-16/h1-7H,8H2,(H,17,18)

Composition: C (50.25%), H (2.64%), N (21.98%), O (8.37%), S (16.77%)

Molar Mass: 382.42

Atom Count: 36

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	5
Asymmetric Atom Count	0
Exact Mass	382.030665934
Formal Charge	0
FSP3	0.06
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	KJDIQVIOJNWPSC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	111.39
Topological Polar Surface Area	102.01
Polarizability	39.31
Ring Count	5
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H10N6O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00