2(3h)-benzothiazolethione, zinc salt
Basic information
- CAS
155-04-4- Standard SMILES
S=c1[nH]c2ccccc2s1.[Zn]- InChIKey
GIUBHMDTOCBOPA-UHFFFAOYSA-N- Molecular formula
- C7H5NS2Zn
- Average molar mass
- 232.6 g/mol
- Monoisotopic mass
- 230.915483
Names & identifiers
- Preferred name
- 2(3h)-benzothiazolethione, zinc salt
- IUPAC
- 3H-1,3-benzothiazole-2-thione;zinc
- English name
- Zinc 2-mercaptobenzothiazole
- Molecular formula
- C14H8N2S4Zn
- Molecular weight
- 397.88
Names & synonyms
2(3H)-Benzothiazolethione, zinc saltRefChem:439849MFCD000722342-Mercaptobenzothiazole, zinc derivativeC7H5NS2ZnSCHEMBL78798SCHEMBL87493521,3-benzothiazole-2-thiol;zincGIUBHMDTOCBOPA-UHFFFAOYSA-N1,3-benzothiazole-2-thiol; zincF863848ZMBT
Show more names
vulkacitzmznmboxafZETAXzenitebantexpennacztusafgy-7Zinc MBT
Database identifiers
- CAS
155-04-4- PubChem CID
- 3000735
Properties
Computed structural properties
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Melting point
- 330 °C · 330 °C
- Density
- 1.7 g/cm3 · 1.7 g/cm3(Temp: 25 °C)
- storage temp.
- Refrigerator
- solubility
- Acidic Methanol (Slightly, Heated)
- form
- Solid
- pka
- 7.03 · 7.03[at 20 ℃]
- color
- White to Off-White
- Water Solubility
- 20.6 mg/L · 20.6mg/L at 20℃
- 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
- SMILES
- C12C=CC=CC=1SC(S[Zn]SC1SC3C=CC=CC=3N=1)=N2
- LogP
- 2.42 at · 2.42 at 20℃
- CAS DataBase Reference
- 155 · 155-04-4(CAS DataBase Reference)
- FDA 21 CFR
- 175.105 · 175.105; 177.2600; 178.3120
- Indirect Additives used in Food Contact Substances
- 2 · ZINC 2-MERCAPTOBENZOTHIAZOLE
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Hazard information
Regulatory InformationZinc 2-mercaptobenzothiazole: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Mercaptobenzothiazole and its salts: Human health tier II assessment
Hazard Classes and CategoriesSkin sensitisation - category 1
Safety data
- tsca
- TSCA listed
- rtecs
- DL7000000
- hs_code
- 2934.20.8000
- Toxicity
- LD50 oral in rat: 540mg/kg
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08,GHS09
- Hazard statements
- H315-H319-H317-H410-H372
- REACH Registrations
- Active
- Precautionary statements
- P501-P261-P273-P272-P264-P280-P302+P352-P391-P337+P313-P305+P351+P338-P362+P364-P333+P313
- Hazardous Substances Data
- 155-04-4(Hazardous Substances Data)
Chemistry & industry
Applications
UsesZinc 2-Mercaptobenzothiazole is an additive which is used in flooring material to allow excellent hardening at low temperatures.
UsesAccelerator for latex, powder coating, fungicide.
Suppliers
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Related reactions
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Compound notes
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