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5-(furan-2-yl)-1,1-dioxo-2H-1??,2,6-thiadiazine-3-carboxylic acid

5-(furan-2-yl)-1,1-dioxo-2H-1??,2,6-thiadiazine-3-carboxylic acid

CAS: 1011397-87-7

Formula: C8H6N2O5S

SMILES: OC(=O)C1=CC(=NS(=O)(=O)N1)C1=CC=CO1

IUPAC: 5-(furan-2-yl)-1,1-dioxo-2H-1??,2,6-thiadiazine-3-carboxylic acid

InChI: InChI=1S/C8H6N2O5S/c11-8(12)6-4-5(7-2-1-3-15-7)9-16(13,14)10-6/h1-4,10H,(H,11,12)

Composition: C (39.67%), H (2.50%), N (11.57%), O (33.03%), S (13.24%)

Molar Mass: 242.21

Atom Count: 22

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 241.999742475
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey BRRSZMXAZRUCJV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.22
Topological Polar Surface Area 108.97
Polarizability 20.42
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 1011397-87-7 $75.40$75.40
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