Back to Search

Mercaptobenzothiazole

CAS: 149-30-4 | C7H5NS2

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 149-30-4
Molecular Formula: C7H5NS2
Molecular Weight: 167.25799999999998 g/mol

Names and Synonyms:

Mercaptobenzothiazole
2(3H)-Benzothiazolethione
2-Benzothiazolethiol
2-Benzothiazolinethione
Captax
MBT
2-Mercaptobenzothiazole
2-Mercaptobenzthiazole
Mertax
Nuodeb 84
Rotax
Royal MBT
Thiotax
Mercaptobenzothiazole
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

Identifiers:

SMILES:
Sc1nc2ccccc2s1
InChI:
InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Molecular

Property Value Source
Molecular Weight 167.25799999999998 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 166.98634116 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 10 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 3 count RDKit
Hydrogen Bond Donors 1 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 0 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 2 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 12.89 Ų RDKit

Physical Properties

Property Value Source
LogP 2.585 RDKit
molecular_mass 167.26 g/mol Legacy Database
density 1.42 g/cm³ Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/Mercaptobenzothiazole None Legacy Database
cas-canonical-smile S=C1SC=2C=CC=CC2N1 None Legacy Database
cas-density 1.42 g/cm3 None Legacy Database
cas-inchi InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9) None Legacy Database
cas-inchi-key InChIKey=YXIWHUQXZSMYRE-UHFFFAOYSA-N None Legacy Database
cas-melting-point 180.2-181.7 °C None Legacy Database
cas-name 2-Mercaptobenzothiazole None Legacy Database
wikipedia-name Mercaptobenzothiazole None Legacy Database

Molar

Property Value Source
Molar Refractivity 46.87200000000002 RDKit

Recent Searches

Acetone
Ethanol
Navigate
esc Close