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CAS 22816-60-0 AMINO[(3,4-DICHLOROBENZYL)SULFANYL]METHANIMINIUM CHLORIDE molecular structure lightbox
CAS RN: 22816-60-0

AMINO[(3,4-DICHLOROBENZYL)SULFANYL]METHANIMINIUM CHLORIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251210 10mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-111055
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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: 0.25g
  • 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 22816-60-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

22816-60-0 / [amino-[(3,4-dichlorophenyl)methylsulfanyl]methylidene]azanium chloride

Standard CAS: 22816-60-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22816-60-0
Multi CAS
No
Molecular Formula
C8H9Cl3N2S
Molecular Weight
271.600000
Exact Mass
269.955203
SMILES
C1=CC(=C(C=C1CSC(=[NH2+])N)Cl)Cl.[Cl-]
InChI
InChI=1S/C8H8Cl2N2S.ClH/c9-6-2-1-5(3-7(6)10)4-13-8(11)12;/h1-3H,4H2,(H3,11,12);1H
InChIKey
VBJNMXMOMSWRDV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
58.88
TPSA
51.61

LogP / Solubility

WLOGP
-1.7
MLOGP
-1.48
XLogP3
-1.7
Consensus LogP
-1.63
Log S (ESOL)
-0.64
Class (ESOL)
Very soluble
Log S (Ali)
-0.56
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.26
Class (SILICOS-IT)
Very 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)
-5.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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