Mercaptobenzothiazole

Description

Mercaptobenzothiazole · CAS 118090-09-8 · C7H5NS2. UNII 5RLR54Z22K. Melting Point: 351 to 358 °F (NTP, 1992); Melting Point: 180.2-181.7 °C; Melting Point: 177 - 179 °C.

Identification

CAS Registry Number	118090-09-8
PubChem CID	697993
Molecular formula	C7H5NS2
IUPAC name	3H-1,3-benzothiazole-2-thione
UNII (FDA)	5RLR54Z22K

Computed Descriptors

Molecular Weight	167.3
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	166.98634151
Monoisotopic Mass	166.98634151
Topological Polar Surface Area	69.4
Heavy Atom Count	10
Formal Charge	0

Physical & Chemical Properties

Melting Point	351 to 358 °F (NTP, 1992)
Melting Point	180.2-181.7 °C
Melting Point	177 - 179 °C
Melting Point	180-182 °C
Melting Point	181 °C
Flash Point	392 °F (NTP, 1992)
Flash Point	392 °F
Flash Point	243 °C
Solubility	0.12 mg/mL at 24 °C
Density	1.42 g/cu cm at 20 °C

Physical description & handling notes

• 2-mercaptobenzothiazole is a pale yellow to tan crystalline powder with a disagreeable odor. (NTP, 1992)
• Dry Powder; Other Solid; Large Crystals; Wet Solid; Other Solid; Dry Powder; Large Crystals
• Yellowish to tan crystalline powder; [HSDB]
• Solid
• CRYSTALS WITH CHARACTERISTIC ODOUR.
• Pale, yellow monoclinic needles or leaflets

Regulatory Status

Regulatory & Food Contact	FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS

GHS Hazard Classification

Reported hazard statements	H317, H400, H410, H350, H351

Documented Uses

• Metal Machining [Category: Heat or Machine]
• Pulp and Paper Processing [Category: Industry]
• Working with Glues and Adhesives [Category: Other]
• Leather Tanning and Processing [Category: Industry]
• FUNGICIDE FOR PRESERVING TEXTILES /SRP: FORMER USE/
• Vulcanization accelerator for rubber (requires use of stearic acid for full activation), tire treads and carcasses, mechanical specialities, etc., ... corrosion inhibitor in cutting oils and petroleum products, extreme pressure additive in greases.

Synonyms

2-Mercaptobenzothiazole; 149-30-4; 2-Benzothiazolethiol; Captax; 1,3-Benzothiazole-2-thiol; Benzothiazolethiol; MERCAPTOBENZOTHIAZOLE; 2(3H)-Benzothiazolethione; Dermacid; Kaptax; Mertax; Thiotax; Rotax; Accelerator M; Benzothiazole-2-thiol; Vulkacit M

Frequently Asked Questions

What are the CAS number and molecular formula of Mercaptobenzothiazole?

CAS 118090-09-8; molecular formula C7H5NS2; molecular weight — g/mol.

What other names is Mercaptobenzothiazole known by?

2-Mercaptobenzothiazole, 149-30-4, 2-Benzothiazolethiol, Captax, 1,3-Benzothiazole-2-thiol, Benzothiazolethiol.

What is the regulatory status of Mercaptobenzothiazole?

Documented regulatory listings: FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS.

Is Mercaptobenzothiazole classified as hazardous?

Hazard statements reported: H317, H400, H410, H350, H351.

What are the key physical properties of Mercaptobenzothiazole?

Melting Point: 351 to 358 °F (NTP, 1992); Melting Point: 180.2-181.7 °C; Melting Point: 177 - 179 °C; Melting Point: 180-182 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.