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CAS 796045-97-1 Cyanomethyl Dodecyl Trithiocarbonate molecular structure lightbox
CAS RN: 796045-97-1

Cyanomethyl Dodecyl Trithiocarbonate

Product Availability

Choose a grade to view its available package options.

11 package records11 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251203 1g In stock Inquiry
Batchno.20260131 250mg In stock Inquiry
Batchno.20250520 500mg In stock Inquiry
Batchno.20250904 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260318 100mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250819 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong, Guangdong 5-7 business days Inquiry
Batchno.20260509 10g In stock Shanghai Inquiry
Batchno.20250109 1g In stock Shanghai Inquiry
Batchno.20250811 250mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250816 25g In stock Shanghai Inquiry
Batchno.20250609 5g In stock Shanghai Inquiry
  • Product code: SSC-188717
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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: ＞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 796045-97-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

796045-97-1 / 2-dodecylsulfanylcarbothioylsulfanylacetonitrile

Standard CAS: 796045-97-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
796045-97-1
Multi CAS
Yes
Molecular Formula
C15H27NS3
Molecular Weight
317.600000
Exact Mass
317.130563
InChI
InChI=1S/C15H27NS3/c1-2-3-4-5-6-7-8-9-10-11-13-18-15(17)19-14-12-16/h2-11,13-14H2,1H3
InChIKey
URUIKGRSOJEVQG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.87
Rotatable bonds
12
H-bond acceptors
4
Molar refractivity
94.97
TPSA
23.79

LogP / Solubility

WLOGP
6.18
MLOGP
5.45
XLogP3
7.6
Consensus LogP
6.41
Log S (ESOL)
-4.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.3
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
No
Log Kp (skin permeation)
-0.27

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
1.5

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