11-nitro-6??-thia-7-azatricyclo[6.4.0.0²,?]dodeca-1(12),6,8,10-tetraen-6-one

11-nitro-6??-thia-7-azatricyclo[6.4.0.0²,?]dodeca-1(12),6,8,10-tetraen-6-one

CAS: 2169311-00-4

Formula: C10H10N2O3S

SMILES: [O-][N+](=O)C1=CC=C2N=S3(=O)CCCC3C2=C1

IUPAC: 11-nitro-6??-thia-7-azatricyclo[6.4.0.0²,?]dodeca-1(12),6,8,10-tetraen-6-one

InChI: InChI=1/C10H10N2O3S/c13-12(14)7-3-4-9-8(6-7)10-2-1-5-16(10,15)11-9/h3-4,6,10H,1-2,5H2

Composition: C (50.41%), H (4.23%), N (11.76%), O (20.14%), S (13.46%)

Molar Mass: 238.26

Atom Count: 26

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	238.041213364
Formal Charge	0
FSP3	0.4
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	AHYHABFBFRUJGU-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.12
Topological Polar Surface Area	72.57
Polarizability	22.96
Ring Count	3
Rotatable Bond Count	1

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	2169311-00-4		$51.35-$86.31$51.35$63.37$86.31