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CAS 34914-36-8 Acetic acid, [(triphenylmethyl)thio]- molecular structure lightbox
CAS RN: 34914-36-8

Acetic acid, [(triphenylmethyl)thio]-

  • Product code: SSC-141614
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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 34914-36-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

34914-36-8 / 2-tritylsulfanylacetic acid

Standard CAS: 34914-36-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
34914-36-8
Multi CAS
No
Molecular Formula
C21H18O2S
Molecular Weight
334.400000
Exact Mass
334.102751
InChI
InChI=1S/C21H18O2S/c22-20(23)16-24-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H,22,23)
InChIKey
RYRPHZROJNDXEV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
99.3
TPSA
37.3

LogP / Solubility

WLOGP
4.8
MLOGP
4.24
XLogP3
5.1
Consensus LogP
4.71
Log S (ESOL)
-5.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.53
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
No
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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