Mercaptobenzothiazole

C7H5NS2CAS 149-30-4167.24 g/mol

Open in Covalent MOL file
HSNS
Thiol

Properties

Molecular formula
C7H5NS2
Molar mass
167.24 g/mol
Exact mass
166.9863 Da
Density
1.42 g/mL
Melting point
180.2–181.7 °C
logP
2.58Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number
149-30-4
SMILES
Sc1nc2ccccc2s1
InChIKey
YXIWHUQXZSMYRE-UHFFFAOYSA-N
InChI
InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

68 names · show all
  • 2(3H)-Benzothiazolethione
  • 2-Benzothiazolethiol
  • 2-Benzothiazolinethione
  • Captax
  • MBT
  • 2-Mercaptobenzothiazole
  • 2-Mercaptobenzthiazole
  • Mertax
  • Nuodeb 84
  • Rotax
  • Royal MBT
  • Thiotax
  • Pneumax MBT
  • Mercaptobenzthiazole
  • Soxinol M
  • Vulkacit mercapto
  • Ekagom G
  • Vulkacit M
  • Kaptax
  • Dermacid
  • Accelerator M
  • Kaptaks
  • 2-MBT
  • Mebetizole
  • Mebithizol
  • Vulkacit mercapto/C
  • Accel M
  • 2-Benzothiazolyl mercaptan
  • Nocceler M
  • MBT (vulcanization accelerator)
  • Aero promoter 412
  • Sanceler M
  • Vulkacit mercapto/MG
  • 2,3-Dihydrobenzothiazole-2-thione
  • Mebetizol
  • Wobezit M
  • Nonflex NB
  • Benz-1,3-thiazolidine-2-thione
  • 1,3-Benzothiazole-2-thione
  • Vulkafil ZN 94TT01
  • 2-Sulfanylbenzothiazole
  • Nocceler M-P
  • Perkacit MBT
  • 1,3-Benzothiazole-2-thiol
  • NSC 2041
  • Vulkacit mercapto MG/C
  • Aero 407
  • Sanceler M-G
  • Benzothiazolethiol
  • Benzo[d]thiazole-2-thiol
  • 2-Mercapto-1H-benzothiazole
  • Oricel M
  • RU 3
  • Captax MBT
  • DT 402
  • OCID
  • M 2
  • M 2 (Rust inhibitor)
  • Accelerator MBT
  • NB
  • Rubator MBT
  • MBT-2
  • Accelerant M
  • Rhenogran MBT 80
  • MBT 80
  • 2,3-Dihydro-1,3-benzothiazole-2-thione
  • 2-Mercaptobenzo[d]thiazole
  • Rhenogran MBT

Work with Mercaptobenzothiazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Zinc 2-mercaptobenzothiazole155-04-4Salt 2-Mercaptobenzothiazole sodium salt2492-26-4Salt

Similar compounds

5-Chloro-2-mercaptobenzothiazole5331-91-953 % similar 6-Amino-2-mercaptobenzothiazole7442-07-153 % similar 2-Fluorobenzothiazole1123-98-452 % similar 2-Methylbenzothiazole120-75-252 % similar Accelerator DM120-78-552 % similar 2,2′-Methylenebis[benzothiazole]1945-78-452 % similar 2-Bromobenzothiazole2516-40-752 % similar 2-Chlorobenzothiazole615-20-352 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia