4-bromo-6-tert-butyl-1,3-benzothiazole-2-thiol

4-bromo-6-tert-butyl-1,3-benzothiazole-2-thiol

CAS: 1199773-20-0

Formula: C11H12BrNS2

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

IUPAC: 4-bromo-6-tert-butyl-1,3-benzothiazole-2-thiol

InChI: InChI=1S/C11H12BrNS2/c1-11(2,3)6-4-7(12)9-8(5-6)15-10(14)13-9/h4-5H,1-3H3,(H,13,14)

Composition: C (43.71%), H (4.00%), Br (26.44%), N (4.63%), S (21.21%)

Molar Mass: 302.25

Atom Count: 27

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	300.959455
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	AOKOFHNXNYZDHR-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	70.9
Topological Polar Surface Area	12.89
Polarizability	28.69
Ring Count	2
Rotatable Bond Count	1

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