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CAS 4740-00-5 3-Methylthiolane molecular structure lightbox
CAS RN: 4740-00-5

3-Methylthiolane

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250507 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS4740-00-5
  • Purity/Analytical Methods: >99.0%
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4740-00-5 / 3-methylthiolane

Standard CAS: 4740-00-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4740-00-5
Multi CAS
No
Molecular Formula
C5H10S
Molecular Weight
102.200000
Exact Mass
102.050321
InChI
InChI=1S/C5H10S/c1-5-2-3-6-4-5/h5H,2-4H2,1H3
InChIKey
DLABLFPCTXRQMY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
H-bond acceptors
1
Molar refractivity
31.11
TPSA
25.3000

LogP / Solubility

WLOGP
1.76
MLOGP
1.54
XLogP3
1.8
Consensus LogP
1.7
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
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)
-2.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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