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CAS 3877-15-4 METHYL PROPYL SULFIDE molecular structure lightbox
CAS RN: 3877-15-4

METHYL PROPYL SULFIDE

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250715 100g In stock Inquiry
Batchno.20260327 25g In stock Inquiry
Batchno.20251018 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250318 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS3877-15-4
  • Purity/Analytical Methods: >99.0%
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3877-15-4 / 1-methylsulfanylpropane

Standard CAS: 3877-15-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3877-15-4
Multi CAS
No
Molecular Formula
C4H10S
Molecular Weight
90.190000
Exact Mass
90.050321
InChI
InChI=1S/C4H10S/c1-3-4-5-2/h3-4H2,1-2H3
InChIKey
ZOASGOXWEHUTKZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
28.67
TPSA
25.3000

LogP / Solubility

WLOGP
1.76
MLOGP
1.54
XLogP3
1.8
Consensus LogP
1.7
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
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)
-2.02

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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