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CAS 870196-80-8 4-Cyano-4-[[(dodecylthio)carbonothioyl]thio]pentanoic Acid molecular structure lightbox
CAS RN: 870196-80-8

4-Cyano-4-[[(dodecylthio)carbonothioyl]thio]pentanoic Acid

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260212 100mg / 500mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260526 100g In stock Shanghai Inquiry
Batchno.20250118 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251228 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250402 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250218 500g In stock Shanghai Inquiry
Batchno.20251229 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250517 100mg / 500mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-196469
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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: 5g
  • 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 870196-80-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 0 Out of Stock Shenzhen Inquiry

870196-80-8 / 4-cyano-4-dodecylsulfanylcarbothioylsulfanylpentanoic acid

Standard CAS: 870196-80-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
870196-80-8
Multi CAS
No
Molecular Formula
C19H33NO2S3
Molecular Weight
403.700000
Exact Mass
403.167343
InChI
InChI=1S/C19H33NO2S3/c1-3-4-5-6-7-8-9-10-11-12-15-24-18(23)25-19(2,16-20)14-13-17(21)22/h3-15H2,1-2H3,(H,21,22)
InChIKey
RNTXYZIABJIFKQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.84
Rotatable bonds
15
H-bond acceptors
5
H-bond donors
1
Molar refractivity
115.38
TPSA
61.09

LogP / Solubility

WLOGP
6.81
MLOGP
6.01
XLogP3
7.6
Consensus LogP
6.81
Log S (ESOL)
-5.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.73
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.35

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
3

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