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

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

CAS: 55690-60-3

Formula: C8H7NOS2

SMILES: COC1=CC=C2SC(S)=NC2=C1

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

InChI: InChI=1S/C8H7NOS2/c1-10-5-2-3-7-6(4-5)9-8(11)12-7/h2-4H,1H3,(H,9,11)

Composition: C (48.71%), H (3.58%), N (7.10%), O (8.11%), S (32.50%)

Molar Mass: 197.27

Atom Count: 19

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 196.996906197
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey JDPITNFDYXOKRM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.07
Topological Polar Surface Area 22.12
Polarizability 21.2
Ring Count 2
Rotatable Bond Count 1

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