4-bromo-6-methyl-1,3-benzothiazole-2-thiol

4-bromo-6-methyl-1,3-benzothiazole-2-thiol

CAS: 155596-89-7

Formula: C8H6BrNS2

SMILES: CC1=CC(Br)=C2N=C(S)SC2=C1

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

InChI: InChI=1S/C8H6BrNS2/c1-4-2-5(9)7-6(3-4)12-8(11)10-7/h2-3H,1H3,(H,10,11)

Composition: C (36.93%), H (2.32%), Br (30.71%), N (5.38%), S (24.65%)

Molar Mass: 260.17

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	258.912505
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	NTFRCPCWLQNGLF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.28
Topological Polar Surface Area	12.89
Polarizability	23.21
Ring Count	2
Rotatable Bond Count	0

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