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3-[(4-hydroxyphenyl)(methyl)amino]-1??,2-benzothiazole-1,1-dione

3-[(4-hydroxyphenyl)(methyl)amino]-1??,2-benzothiazole-1,1-dione

Formula: C14H12N2O3S

SMILES: CN(C1=NS(=O)(=O)C2=C1C=CC=C2)C1=CC=C(O)C=C1

IUPAC: 3-[(4-hydroxyphenyl)(methyl)amino]-1??,2-benzothiazole-1,1-dione

InChI: InChI=1S/C14H12N2O3S/c1-16(10-6-8-11(17)9-7-10)14-12-4-2-3-5-13(12)20(18,19)15-14/h2-9,17H,1H3

Composition: C (58.32%), H (4.20%), N (9.72%), O (16.65%), S (11.12%)

Molar Mass: 288.32

Atom Count: 32

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 288.056863428
Formal Charge 0
FSP3 0.07
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey KUHQJTISYAFYHN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.92
Topological Polar Surface Area 69.97
Polarizability 29.48
Ring Count 3
Rotatable Bond Count 1

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C14H12N2O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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