CAS RN: 110-06-5
Di-tert-butyl Disulfide
Product Availability
Available package options are listed below.
1 package records1 with current stock
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260412 | 25ml | In stock | Inquiry |
- Product code: SSC-011236
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
- Available purity: >95%
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
110-06-5 / 2-(tert-butyldisulfanyl)-2-methylpropane
Di-tert-butyl disulphide | Tert-butyl disulfide | Disulfide, bis(1,1-dimethylethyl)
Basic Information
CAS
110-06-5
Multi CAS
No
Molecular Formula
C8H18S2
Molecular Weight
178.400000
Exact Mass
178.084993
SMILES
CC(C)(C)SSC(C)(C)C
InChI
InChI=1S/C8H18S2/c1-7(2,3)9-10-8(4,5)6/h1-6H3
InChIKey
BKCNDTDWDGQHSD-UHFFFAOYSA-N
Synonyms
Di-tert-butyl disulphide
Tert-butyl disulfide
Disulfide, bis(1,1-dimethylethyl)
2,2'-dithiobis(2-methylpropane)
EINECS 203-734-1
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
54.69
TPSA
50.6000
LogP / Solubility
WLOGP
3.96
MLOGP
3.49
XLogP3
2.9
Consensus LogP
3.45
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.23
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.99
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
Health Hazard
Environmental Hazard
Signal
Danger
GHS Hazard Statements
H227 (18%): Combustible liquid [Warning Flammable liquids]
H304 (18%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
H319 (18%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H320 (16.4%): Causes eye irritation [Warning Serious eye damage/eye irritation]
H335 (16.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P261, P264+P265, P271, P273, P280, P301+P316, P304+P340, P305+P351+P338, P319, P331, P337+P317, P370+P378, P391, P403, P403+P233, P405, and P501
