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6-methoxy-1,3-benzothiazole-2-carboxamide

6-methoxy-1,3-benzothiazole-2-carboxamide

CAS: 946-12-3

Formula: C9H8N2O2S

SMILES: COC1=CC=C2N=C(SC2=C1)C(N)=O

IUPAC: 6-methoxy-1,3-benzothiazole-2-carboxamide

InChI: InChI=1S/C9H8N2O2S/c1-13-5-2-3-6-7(4-5)14-9(11-6)8(10)12/h2-4H,1H3,(H2,10,12)

Composition: C (51.91%), H (3.87%), N (13.45%), O (15.37%), S (15.40%)

Molar Mass: 208.24

Atom Count: 22

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 208.03064868
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey KIJPPCHUGXJVFH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.15
Topological Polar Surface Area 65.21
Polarizability 21.01
Ring Count 2
Rotatable Bond Count 2

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