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CAS 120-78-5 2,2′-Dibenzothiazolyl Disulfide molecular structure lightbox
CAS RN: 120-78-5

2,2′-Dibenzothiazolyl Disulfide

Product Availability

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12 package records12 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260110 100g In stock Inquiry
Batchno.20260619 2.5kg In stock Inquiry
Batchno.20251029 250g In stock Inquiry
Batchno.20251223 25g In stock Inquiry
Batchno.20251116 500g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251118 100g / 500g / 2.5kg / 10kg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250426 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260301 1kg In stock Shanghai Inquiry
Batchno.20260701 25g In stock Shanghai, Tianjin Inquiry
Batchno.20250104 500g In stock Shanghai Inquiry
Batchno.20251002 5kg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250412 25g / 100g / 500g / 2.5kg / 10kg Confirm by inquiry Shanghai, Shandong, Chongqing, Hebei, Guangdong Inquiry
  • Product code: SSC-020803
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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: 100g, 500g
  • Available purity: ≥95%
  • 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 120-78-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shanghai Inquiry
500g ≥95% 0 Out of Stock Shenzhen Inquiry

120-78-5 / 2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazole

2,2'-Dithiobisbenzothiazole | MBTS | Benzothiazole disulfide

Standard CAS: 120-78-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
120-78-5
Multi CAS
Yes
Molecular Formula
C14H8N2S4
Molecular Weight
332.500000
Exact Mass
331.957033
SMILES
C1=CC=C2C(=C1)N=C(S2)SSC3=NC4=CC=CC=C4S3
InChI
InChI=1S/C14H8N2S4/c1-3-7-11-9(5-1)15-13(17-11)19-20-14-16-10-6-2-4-8-12(10)18-14/h1-8H
InChIKey
AFZSMODLJJCVPP-UHFFFAOYSA-N
Synonyms
2,2'-Dithiobisbenzothiazole MBTS Benzothiazole disulfide Dibenzothiazolyl disulfide Vulkacit DM

Physical Properties

Melting Point
334 °F (NTP, 1992) 180 °C MP: 168 °C MIN /COMMERCIAL PRODUCT/
Density
1.54 (NTP, 1992) - Denser than water; will sink 1.50 Density (at 20 °C): 1.5 g/cm³
Physical Description
2,2'-dithiobisbenzothiazole is a cream to light yellow powder. (NTP, 1992) Dry Powder, Pellets or Large Crystals; Pellets or Large Crystals; Pellets or Large Crystals, Water or Solvent Wet Solid; Dry Powder; Dry Powder, Other Solid; Other Solid Pale yellow or cream to off-white odorless solid; [HSDB] Colorless to pale yellow powder; YELLOW POWDER WITH CHARACTERISTIC ODOUR.
Appearance
PALE YELLOW NEEDLES FROM BENZENE FREE-FLOWING POWDER Cream to off-white powder or pellets
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should store this chemical under refrigerated temperatures, and keep it away from oxidizing materials. STORE AWAY FROM SOURCES OF IGNITION. (NTP, 1992) Store only in original container. Separated from strong oxidants. Store in an area without drain or sewer access. Provision to contain effluent from fire extinguishing.

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
18
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
90.95
TPSA
25.78

LogP / Solubility

WLOGP
5.71
MLOGP
5.04
XLogP3
5.6
Consensus LogP
5.45
Log S (ESOL)
-5.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.92
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.7

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
2

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
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 (99.5%): 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 P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501
Hazard Class/Division
9
Packing Group
III

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