3H-1,3-benzothiazole-2-thione;zinc

C7H5NS2Zn — CID 3000735

IUPAC3H-1,3-benzothiazole-2-thione;zinc
SMILESS=c1[nH]c2ccccc2s1.[Zn]
InChIInChI=1S/C7H5NS2.Zn/c9-7-8-5-3-1-2-4-6(5)10-7;/h1-4H,(H,8,9);
InChIKeyGIUBHMDTOCBOPA-UHFFFAOYSA-N
MW232.65 g/mol
LogP2.96
Rot. Bonds

About 3H-1,3-benzothiazole-2-thione;zinc

3H-1,3-benzothiazole-2-thione;zinc (PubChem CID 3000735) has the molecular formula C7H5NS2Zn and a molecular weight of 232.65 g/mol. Its IUPAC name is 3H-1,3-benzothiazole-2-thione;zinc.

Molecular Properties

Compound Name3H-1,3-benzothiazole-2-thione;zinc
PubChem CID3000735
Molecular FormulaC7H5NS2Zn
Molecular Weight232.65 g/mol
Exact Mass230.92
IUPAC Name3H-1,3-benzothiazole-2-thione;zinc
SMILESS=c1[nH]c2ccccc2s1.[Zn]
InChIInChI=1S/C7H5NS2.Zn/c9-7-8-5-3-1-2-4-6(5)10-7;/h1-4H,(H,8,9);
InChIKeyGIUBHMDTOCBOPA-UHFFFAOYSA-N
XLogP2.96
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.65
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3H-1,3-benzothiazole-2-thione;zinc?
The IUPAC name of 3H-1,3-benzothiazole-2-thione;zinc (CID 3000735) is 3H-1,3-benzothiazole-2-thione;zinc.
What is the SMILES notation for 3H-1,3-benzothiazole-2-thione;zinc?
The canonical SMILES for 3H-1,3-benzothiazole-2-thione;zinc is S=c1[nH]c2ccccc2s1.[Zn].
What is the InChIKey of 3H-1,3-benzothiazole-2-thione;zinc?
The InChIKey is GIUBHMDTOCBOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NS2.Zn/c9-7-8-5-3-1-2-4-6(5)10-7;/h1-4H,(H,8,9);.
What are the key properties of 3H-1,3-benzothiazole-2-thione;zinc?
3H-1,3-benzothiazole-2-thione;zinc has a molecular weight of 232.65 g/mol, XLogP of 2.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-1,3-benzothiazole-2-thione;zinc is sourced from PubChem (CID 3000735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).