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CAS 1095-85-8 2-(tritylthio)ethanamine,2-[(triphenylmethyl)thio]- Ethanamine molecular structure lightbox
CAS RN: 1095-85-8

2-(tritylthio)ethanamine,2-[(triphenylmethyl)thio]- Ethanamine

Product Availability

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251113 1g In stock Inquiry
Batchno.20250606 200mg Out of stock Inquiry
Batchno.20251118 25g In stock Inquiry
Batchno.20260501 50mg Out of stock Inquiry
Batchno.20250512 5g In stock Inquiry
  • Product code: SSC-010889
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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
  • 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 1095-85-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1095-85-8 / 2-tritylsulfanylethanamine

S-tritylcysteamine | RefChem:884293 | 634-991-1

Standard CAS: 1095-85-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1095-85-8
Multi CAS
No
Molecular Formula
C21H21NS
Molecular Weight
319.500000
Exact Mass
319.139471
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCCN
InChI
InChI=1S/C21H21NS/c22-16-17-23-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17,22H2
InChIKey
XZOWICPSVWHCTC-UHFFFAOYSA-N
Synonyms
S-tritylcysteamine RefChem:884293 634-991-1 2-(tritylthio)ethanamine 2-tritylsulfanylethanamine

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
100.72
TPSA
26.02

LogP / Solubility

WLOGP
4.67
MLOGP
4.12
XLogP3
4.6
Consensus LogP
4.46
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.33
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.35

Drug-likeness / Medicinal Chemistry

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

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