2-Mercaptobenzothiazole

• Formula: C₇H₅NS₂
• Molecular weight: 167.251
• IUPAC Standard InChI: InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9) Copy

  
• IUPAC Standard InChIKey: YXIWHUQXZSMYRE-UHFFFAOYSA-N Copy
• CAS Registry Number: 149-30-4
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: 2(3H)-Benzothiazolethione; 2-Benzothiazolethiol; Accel M; Accelerator M; Benzothiazole, mercapto-; Benzothiazolethiol; Captax; Dermacid; Ekagom G; Kaptaks; Kaptax; Mebetizole; Mebithizol; Mercaptobenzothiazol; Mercaptobenzothiazole; Mercaptobenzthiazole; Mertax; MBT; Nuodeb 84; Pneumax MBT; Rotax; Royal MBT; Soxinol M; Thiotax; Vulkacit M; Vulkacit Mercapto; Vulkacit Mercapto/C; 2-Benzothiazolinethione; 2-Mercaptobenzthiazole; 2-MBT; AG 63; Sulfadene; USAF GY-3; USAF XR-29; 2-Mercptobenzothiazole; 2-Merkaptobenzotiazol; 2-Merkaptobenzthiazol; NCI-C56519; Pennac mbt powder; Rokon; Benzothiazole-2-thione; 2-Benzothiazolyl mercaptan; Nocceler M; Accelerator Mercapto; Perkacit MBT; Benzothiazole, 2-mercapto-; 1,3-Benzothiazole-2-thione; Benzo[d]thiazole-2-thiol; 2-Mercaptobenzothiazole (2-MBT); benzothiazole-2-thiol
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • UV/Visible spectrum
• Data at other public NIST sites:
  • X-ray Photoelectron Spectroscopy Database, version 5.0
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Phase change data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of fusion

Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IR Spectrum

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Coblentz Society, Inc.

Condensed Phase Spectrum

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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

Gas Chromatography

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Normal alkane RI, non-polar column, custom temperature program

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References

Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Witschonke, 1954
Witschonke, C.R., Freezing point and purity data for some organic compounds, Anal. Chem., 1954, 26, 562-4. [all data]

Mentado, Flores, et al., 2008
Mentado, Juan; Flores, Henoc; Amador, Patricia, Combustion energies and formation enthalpies of 2-SH-benzazoles, The Journal of Chemical Thermodynamics, 2008, 40, 7, 1106-1109, https://doi.org/10.1016/j.jct.2008.02.018 . [all data]

Temprado, Roux, et al., 2008
Temprado, Manuel; Roux, Maria Victoria; Parameswar, Archana R.; Demchenko, Alexei V.; Chickos, James S.; Liebman, Joel F., Thermophysical properties in medium temperature range of several thio and dithiocarbamates, J Therm Anal Calorim, 2008, 91, 2, 471-475, https://doi.org/10.1007/s10973-007-8345-8 . [all data]

Guimon, Arbelot, et al., 1975
Guimon, C.; Arbelot, M.; Pfister-Guillouzo, G., Structure electronique de derives sulfures-VIII. Spectres photoelectroniques et electroniques d'J. Heterocycl. Chem. thiocarbonyles benzo-substitues, Spectrochim. Acta Part A, 1975, 31, 985. [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Notes

Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References

• Symbols used in this document:
  

  Tfus	Fusion (melting) point
  ΔfusH	Enthalpy of fusion

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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