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CAS 149-30-4 2-Mercaptobenzothiazole molecular structure lightbox
CAS RN: 149-30-4

2-Mercaptobenzothiazole

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250902 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260109 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260509 1kg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260224 25g / 100g / 500g / 2.5kg / 10kg / 12X500g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batchno.20250526 500g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251222 25g / 100g / 500g Confirm by inquiry Shanghai, Guangdong Inquiry
  • Product code: SSC-059113
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g, 100g, 500g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 149-30-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Beijing Inquiry
100g ＞97% 0 Out of Stock Beijing Inquiry
500g ＞97% 0 Out of Stock Hong Kong Inquiry

149-30-4 / 3H-1,3-benzothiazole-2-thione

Standard CAS: 149-30-4 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
149-30-4
Multi CAS
No
Molecular Formula
C7H5NS2
Molecular Weight
167.300000
Exact Mass
166.986342
SMILES
C1=CC=C2C(=C1)NC(=S)S2
InChI
InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
InChIKey
YXIWHUQXZSMYRE-UHFFFAOYSA-N

Physical Properties

Melting Point
351 to 358 °F (NTP, 1992) 180.2-181.7 °C MP: 170-173 °C /Technical mercaptobenzothiazole/ 177 - 179 °C 180-182 °C
Boiling Point
Decomposes (NTP, 1992) Not determinable experimentally by EU Method A.2 (Boiling Temperature) due to overlapping endothermic and exothermic reactions.
Density
1.42 at 68 °F (NTP, 1992) - Denser than water; will sink 1.42 g/cu cm at 20 °C 1.42 g/cm³
Physical Description
2-mercaptobenzothiazole is a pale yellow to tan crystalline powder with a disagreeable odor. (NTP, 1992) Dry Powder, Pellets or Large Crystals; NKRA; Other Solid; Dry Powder, Other Solid; Liquid; Dry Powder Yellowish to tan crystalline powder; [HSDB] Solid CRYSTALS WITH CHARACTERISTIC ODOUR.
Appearance
Pale, yellow monoclinic needles or leaflets Yellowish powder Pale yellow monoclinic needles from alcohol or methanol Cream to light yellow solid
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should store this chemical under ambient temperatures, and protect it from moisture. Keep it away from oxidizing materials and acids. If possible, it would be prudent to store this compound under inert atmosphere. (NTP, 1992) Store only in original container. Separated from acids and oxidizing materials. Store in an area without drain or sewer access. Provision to contain effluent from fire extinguishing. Conditions for safe storage, including any incompatibilities: Keep container tightly closed in a dry and well-ventilated place.

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.01
TPSA
15.79

LogP / Solubility

WLOGP
2.96
MLOGP
2.6
XLogP3
2.4
Consensus LogP
2.65
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard Health Hazard
Signal
Warning Danger
GHS Hazard Statements
H317: May cause an allergic skin reaction [Warning Sensitization, Skin] H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H400 (98.9%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 P203, P261, P272, P273, P280, P302+P352, P318, P321, P333+P317, P362+P364, P391, P405, and P501 P203, P261, P272, P280, P302+P352, P318, P321, P333+P317, P362+P364, P405, and P501
Hazard Class/Division
9
Packing Group
III

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