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CAS 35420-95-2 2-BROMOETHYL ETHYL SULFIDE molecular structure lightbox
CAS RN: 35420-95-2

2-BROMOETHYL ETHYL SULFIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260319 50mg / 100mg / 500mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS35420-95-2
  • Purity/Analytical Methods: >99.0%
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35420-95-2 / 1-bromo-2-ethylsulfanylethane

Standard CAS: 35420-95-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35420-95-2
Multi CAS
Yes
Molecular Formula
C4H9BRS
Molecular Weight
169.090000
Exact Mass
167.960830
InChI
InChI=1S/C4H9BrS/c1-2-6-4-3-5/h2-4H2,1H3
InChIKey
WNKBNVXUYLXITH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
36.79
TPSA
25.3000

LogP / Solubility

WLOGP
2.13
MLOGP
1.87
XLogP3
2
Consensus LogP
2
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately 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)
-2.24

Drug-likeness / Medicinal Chemistry

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

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