5-bromo-1,3-benzoxazole-2-thiol

5-bromo-1,3-benzoxazole-2-thiol

CAS: 439607-87-1

Formula: C7H4BrNOS

SMILES: SC1=NC2=CC(Br)=CC=C2O1

IUPAC: 5-bromo-1,3-benzoxazole-2-thiol

InChI: InChI=1S/C7H4BrNOS/c8-4-1-2-6-5(3-4)9-7(11)10-6/h1-3H,(H,9,11)

Composition: C (36.54%), H (1.75%), Br (34.73%), N (6.09%), O (6.95%), S (13.93%)

Molar Mass: 230.08

Atom Count: 15

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	228.919698
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	YFFBNUPHVZYFQL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.83
Topological Polar Surface Area	26.03
Polarizability	19.69
Ring Count	2
Rotatable Bond Count	0

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