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CAS 52195-40-1 (Z)-2-Thia-3-pentene molecular structure lightbox
CAS RN: 52195-40-1

(Z)-2-Thia-3-pentene

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250305 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS52195-40-1
  • Purity/Analytical Methods: >99.0%
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52195-40-1 / 1-methylsulfanylprop-1-ene

Standard CAS: 52195-40-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52195-40-1
Multi CAS
Yes
Molecular Formula
C4H8S
Molecular Weight
88.170000
Exact Mass
88.034671
InChI
InChI=1S/C4H8S/c1-3-4-5-2/h3-4H,1-2H3/b4-3-
InChIKey
YJOGCMRDEUBRJD-ARJAWSKDSA-N

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
28.33
TPSA
25.3000

LogP / Solubility

WLOGP
1.88
MLOGP
1.64
XLogP3
1.6
Consensus LogP
1.71
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
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)
-1.92

Drug-likeness / Medicinal Chemistry

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

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