CAS RN: 119-80-2
2,2′-Dithiodibenzoic Acid
Product Availability
Choose a grade to view its available package options.
9 package records9 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260527 | 100g | In stock | Shanghai, Shandong, Guangdong, Hebei | Inquiry |
| Batchno.20250401 | 2.5kg | In stock | Shanghai, Shandong | Inquiry |
| Batchno.20260430 | 25g | In stock | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry |
| Batchno.20260505 | 500g | In stock | Shanghai, Hebei | Inquiry |
- Product code: SSC-019252
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
- Available purity: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
119-80-2 / 2-[(2-carboxyphenyl)disulfanyl]benzoic acid
dithiodibenzoic acid | RefChem:80733 | 2,2'-Dithiodibenzoic acid
Basic Information
CAS
119-80-2
Multi CAS
Yes
Molecular Formula
C14H10O4S2
Molecular Weight
306.400000
Exact Mass
306.002051
SMILES
C1=CC=C(C(=C1)C(=O)O)SSC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C14H10O4S2/c15-13(16)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(17)18/h1-8H,(H,15,16)(H,17,18)
InChIKey
LBEMXJWGHIEXRA-UHFFFAOYSA-N
Synonyms
dithiodibenzoic acid
RefChem:80733
2,2'-Dithiodibenzoic acid
2,2'-Dithiosalicylic acid
2-[(2-Carboxyphenyl)disulfanyl]benzoic acid
Physical Properties
Melting Point
287 - 290 °C
Physical Description
White to yellow solid; [ICSC] Yellow or brown powder;
WHITE-TO-YELLOW POWDER.
State
Solid
Storage Conditions
Separated from strong oxidants. Store in an area without drain or sewer access.
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
78.52
TPSA
74.6
LogP / Solubility
WLOGP
3.88
MLOGP
3.43
XLogP3
3.1
Consensus LogP
3.47
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.47
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-1.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (99.9%): Causes skin irritation [Warning Skin corrosion/irritation]
H317 (97.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H319 (99.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (99.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501
