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CAS 29085-13-0 N,N-Dimethyl-N-(methylsulfanylmethylene)ammonium Iodide molecular structure lightbox
CAS RN: 29085-13-0

N,N-Dimethyl-N-(methylsulfanylmethylene)ammonium Iodide

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250323 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-131306
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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: ≥98%
  • 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 29085-13-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Shenzhen Inquiry

29085-13-0 / dimethyl(methylsulfanylmethylidene)azanium iodide

Standard CAS: 29085-13-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
29085-13-0
Multi CAS
Yes
Molecular Formula
C4H10InS
Molecular Weight
231.100000
Exact Mass
230.957870
InChI
InChI=1S/C4H10NS.HI/c1-5(2)4-6-3;/h4H,1-3H3;1H/q+1;/p-1
InChIKey
BPBAGFOLLWBKGJ-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
31.69
TPSA
3.01

LogP / Solubility

WLOGP
-2.35
MLOGP
-2.06
XLogP3
-2.35
Consensus LogP
-2.25
Log S (ESOL)
0.27
Class (ESOL)
Highly soluble
Log S (Ali)
0.24
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.67
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-5.8

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

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