Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 10g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >95% | 5 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 5 In Stock | Beijing | Inquiry |
| 10g | >95% | 2 In Stock | Hong Kong | Inquiry |
| 1g | >95% | 1 In Stock | Beijing | Inquiry |
| 5g | >95% | 1 In Stock | Hong Kong | Inquiry |
623-54-1 / O-ethyl methylsulfanylmethanethioate
Basic Information
CAS
623-54-1
Multi CAS
Yes
Molecular Formula
C4H8OS2
Molecular Weight
136.200000
Exact Mass
136.001657
InChI
InChI=1S/C4H8OS2/c1-3-5-4(6)7-2/h3H2,1-2H3
InChIKey
ZZHKASLUUFIHKI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
37.74
TPSA
9.23
LogP / Solubility
WLOGP
1.67
MLOGP
1.46
XLogP3
2
Consensus LogP
1.71
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.05
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36
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
Customers Also Viewed
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5-METHYL-3-HEXANOL
- CAS RN: 623-55-2
- Product Code: starshine_CAS623-55-2
- Purity/Analytical method: >99.0%
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