2-[(E)-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

2-[(E)-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Formula: C17H13N3O4S

SMILES: [O-][N+](=O)C1=CC2=C(OCO2)C=C1C=NC1=C(C#N)C2=C(CCCC2)S1

IUPAC: 2-[(E)-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

InChI: InChI=1S/C17H13N3O4S/c18-7-12-11-3-1-2-4-16(11)25-17(12)19-8-10-5-14-15(24-9-23-14)6-13(10)20(21)22/h5-6,8H,1-4,9H2/b19-8+

Composition: C (57.46%), H (3.69%), N (11.82%), O (18.01%), S (9.02%)

Molar Mass: 355.37

Atom Count: 38

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	355.062677085
Formal Charge	0
FSP3	0.29
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	LFORJRKNHYKNNT-UFWORHAWSA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.88
Topological Polar Surface Area	97.75
Polarizability	33.88
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H13N3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00