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CAS 77555-27-2 2-(2-PYRIDYLTHIO)ETHAN-1-OL molecular structure lightbox
CAS RN: 77555-27-2

2-(2-PYRIDYLTHIO)ETHAN-1-OL

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260117 1g / 5g / 10g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS77555-27-2
  • Purity/Analytical Methods: >99.0%
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77555-27-2 / 2-pyridin-2-ylsulfanylethanol

Standard CAS: 77555-27-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
77555-27-2
Multi CAS
No
Molecular Formula
C7H9NOS
Molecular Weight
155.220000
Exact Mass
155.040485
InChI
InChI=1S/C7H9NOS/c9-5-6-10-7-3-1-2-4-8-7/h1-4,9H,5-6H2
InChIKey
VKXCZEICJYQFIT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.05
TPSA
33.12

LogP / Solubility

WLOGP
1.17
MLOGP
1.02
XLogP3
1
Consensus LogP
1.06
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2
Class (SILICOS-IT)
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)
-2.84

Drug-likeness / Medicinal Chemistry

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

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