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CAS 173994-32-6 3-(Pridin-2-yldisulfanyl)propan-1-ol molecular structure lightbox
CAS RN: 173994-32-6

3-(Pridin-2-yldisulfanyl)propan-1-ol

  • Product code: SSC-076355
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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: ≥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 173994-32-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

173994-32-6 / 3-(pyridin-2-yldisulfanyl)propan-1-ol

Standard CAS: 173994-32-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
173994-32-6
Multi CAS
No
Molecular Formula
C8H11NOS2
Molecular Weight
201.300000
Exact Mass
201.028206
SMILES
C1=CC=NC(=C1)SSCCCO
InChI
InChI=1S/C8H11NOS2/c10-6-3-7-11-12-8-4-1-2-5-9-8/h1-2,4-5,10H,3,6-7H2
InChIKey
GGNOPUIXVBFZDO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
54.25
TPSA
33.12

LogP / Solubility

WLOGP
2.2
MLOGP
1.94
XLogP3
1.4
Consensus LogP
1.85
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.4
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38

Drug-likeness / Medicinal Chemistry

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

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