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Zinc 2-Mercaptobenzothiazole

CAT: 0572-TRC-Z701568-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-Z701568-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
155-04-4
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
[Zn+2].[S-]c1nc2ccccc2s1.[S-]c3nc4ccccc4s3
Molecular Formula
C14H8N2S4Zn
Molecular Weight
397.85
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Zinc mercaptobenzothiazole
CAS Number155-04-4
PubChem CID9071
IUPAC Namezinc bis(1,3-benzothiazole-2-thiolate)
Molecular FormulaC14H8N2S4Zn
Molecular Weight397.9
Topological Polar Surface Area84.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count21
Formal Charge0
Complexity129
SMILES
C1=CC=C2C(=C1)N=C(S2)[S-].C1=CC=C2C(=C1)N=C(S2)[S-].[Zn+2]
InChI
InChI=1S/2C7H5NS2.Zn/c2*9-7-8-5-3-1-2-4-6(5)10-7;/h2*1-4H,(H,8,9);/q;;+2/p-2
InChIKey
PGNWIWKMXVDXHP-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Zinc mercaptobenzothiazole
CAS: 155-04-4
CID: 9071
Formula: C14H8N2S4Zn
MW: 397.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight397.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass395.886175
Monoisotopic Mass395.886175
Topological Polar Surface Area84.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity129
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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