4,6-dibromo-1,3-benzoxazole-2-thiol

4,6-dibromo-1,3-benzoxazole-2-thiol

CAS: 1215206-48-6

Formula: C7H3Br2NOS

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

IUPAC: 4,6-dibromo-1,3-benzoxazole-2-thiol

InChI: InChI=1S/C7H3Br2NOS/c8-3-1-4(9)6-5(2-3)11-7(12)10-6/h1-2H,(H,10,12)

Composition: C (27.21%), H (0.98%), Br (51.72%), N (4.53%), O (5.18%), S (10.38%)

Molar Mass: 308.98

Atom Count: 15

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	306.830211
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	CZCGAMAWAYOEJD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.45
Topological Polar Surface Area	26.03
Polarizability	22.73
Ring Count	2
Rotatable Bond Count	0

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