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CAS 461642-78-4 2-(Dodecylthiocarbonothioylthio)-2-methylpropionic Acid molecular structure lightbox
CAS RN: 461642-78-4

2-(Dodecylthiocarbonothioylthio)-2-methylpropionic Acid

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250214 10g In stock Shanghai Inquiry
Batchno.20250516 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250906 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20250330 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batchno.20260311 25g In stock Shanghai, Tianjin Inquiry
Batchno.20260119 5g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
  • Product code: SSC-153700
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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: 1g, 5g, 10g, 25g
  • 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 461642-78-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry
10g ≥97% 0 Out of Stock Beijing Inquiry
25g ≥97% 0 Out of Stock Hong Kong Inquiry

461642-78-4 / 2-dodecylsulfanylcarbothioylsulfanyl-2-methylpropanoic acid

Standard CAS: 461642-78-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
461642-78-4
Multi CAS
No
Molecular Formula
C17H32O2S3
Molecular Weight
364.600000
Exact Mass
364.156444
InChI
InChI=1S/C17H32O2S3/c1-4-5-6-7-8-9-10-11-12-13-14-21-16(20)22-17(2,3)15(18)19/h4-14H2,1-3H3,(H,18,19)
InChIKey
DZFGVGDQHQHOKZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.88
Rotatable bonds
13
H-bond acceptors
4
H-bond donors
1
Molar refractivity
106.21
TPSA
37.3

LogP / Solubility

WLOGP
6.52
MLOGP
5.76
XLogP3
8
Consensus LogP
6.76
Log S (ESOL)
-5.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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