bromozinc(1+);2-methyl-5H-1,3-benzothiazol-5-ide

C8H6BrNSZn — CID 133144602

IUPACbromozinc(1+);2-methyl-5H-1,3-benzothiazol-5-ide
SMILESCc1nc2c[c-]ccc2s1.[Zn+]Br
InChIInChI=1S/C8H6NS.BrH.Zn/c1-6-9-7-4-2-3-5-8(7)10-6;;/h3-5H,1H3;1H;/q-1;;+2/p-1
InChIKeyNQGJBQOZYXSJTM-UHFFFAOYSA-M
MW293.50 g/mol
LogP3.25
Rot. Bonds

About bromozinc(1+);2-methyl-5H-1,3-benzothiazol-5-ide

bromozinc(1+);2-methyl-5H-1,3-benzothiazol-5-ide (PubChem CID 133144602) has the molecular formula C8H6BrNSZn and a molecular weight of 293.50 g/mol. Its IUPAC name is bromozinc(1+);2-methyl-5H-1,3-benzothiazol-5-ide.

Molecular Properties

Compound Namebromozinc(1+);2-methyl-5H-1,3-benzothiazol-5-ide
PubChem CID133144602
Molecular FormulaC8H6BrNSZn
Molecular Weight293.50 g/mol
Exact Mass290.87
IUPAC Namebromozinc(1+);2-methyl-5H-1,3-benzothiazol-5-ide
SMILESCc1nc2c[c-]ccc2s1.[Zn+]Br
InChIInChI=1S/C8H6NS.BrH.Zn/c1-6-9-7-4-2-3-5-8(7)10-6;;/h3-5H,1H3;1H;/q-1;;+2/p-1
InChIKeyNQGJBQOZYXSJTM-UHFFFAOYSA-M
XLogP3.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-methyl-7H-benzo[g][1,3]benzothiazol-7-ide;yttrium
CID 147870543
5-chloro-2-methyl-1,3-benzothiazole;methane
CID 163804732
2-methyl-5-methylsulfanyl-1,3-benzothiazole
CID 10954473
(2-methyl-1,3-benzothiazol-6-yl) thiocyanate
CID 15147661
2,6-dimethyl-1,3-benzothiazol-5-amine
CID 46912036
2-methyl-1,3-benzothiazole-5,6-diamine
CID 43450604
5-(3,5-dichlorophenyl)-2-methyl-1,3-benzothiazole
CID 143753373
bromomethylbenzene;2-methyl-1,3-benzothiazole
CID 161475855
2-methyl-5-[(S)-methylsulfinyl]-1,3-benzothiazole
CID 94044690
dihydroxy(oxo)phosphanium;2-methyl-1,3-benzothiazole
CID 68800497
1,3-benzothiazol-2-amine;2-methyl-1,3-benzothiazole
CID 161214850
2-methyl-1,3-benzothiazole;urea
CID 161197769

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);2-methyl-5H-1,3-benzothiazol-5-ide?
The IUPAC name of bromozinc(1+);2-methyl-5H-1,3-benzothiazol-5-ide (CID 133144602) is bromozinc(1+);2-methyl-5H-1,3-benzothiazol-5-ide.
What is the SMILES notation for bromozinc(1+);2-methyl-5H-1,3-benzothiazol-5-ide?
The canonical SMILES for bromozinc(1+);2-methyl-5H-1,3-benzothiazol-5-ide is Cc1nc2c[c-]ccc2s1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);2-methyl-5H-1,3-benzothiazol-5-ide?
The InChIKey is NQGJBQOZYXSJTM-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6NS.BrH.Zn/c1-6-9-7-4-2-3-5-8(7)10-6;;/h3-5H,1H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);2-methyl-5H-1,3-benzothiazol-5-ide?
bromozinc(1+);2-methyl-5H-1,3-benzothiazol-5-ide has a molecular weight of 293.50 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);2-methyl-5H-1,3-benzothiazol-5-ide is sourced from PubChem (CID 133144602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).