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5-bromo-6-methoxy-1,3-benzothiazole-2-thiol

5-bromo-6-methoxy-1,3-benzothiazole-2-thiol

CAS: 1215205-85-8

Formula: C8H6BrNOS2

SMILES: COC1=C(Br)C=C2N=C(S)SC2=C1

IUPAC: 5-bromo-6-methoxy-1,3-benzothiazole-2-thiol

InChI: InChI=1S/C8H6BrNOS2/c1-11-6-3-7-5(2-4(6)9)10-8(12)13-7/h2-3H,1H3,(H,10,12)

Composition: C (34.79%), H (2.19%), Br (28.93%), N (5.07%), O (5.79%), S (23.22%)

Molar Mass: 276.17

Atom Count: 19

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 274.907419
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey PHAGEHCGWCLLAJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.7
Topological Polar Surface Area 22.12
Polarizability 24.02
Ring Count 2
Rotatable Bond Count 1

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