[email protected]
CAS 14202-77-8 Allyl Methanethiosulfonate molecular structure lightbox
CAS RN: 14202-77-8

Allyl Methanethiosulfonate

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250426 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS14202-77-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

14202-77-8 / 3-methylsulfonylsulfanylprop-1-ene

Standard CAS: 14202-77-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14202-77-8
Multi CAS
No
Molecular Formula
C4H8O2S2
Molecular Weight
152.200000
Exact Mass
151.996572
SMILES
CS(=O)(=O)SCC=C
InChI
InChI=1S/C4H8O2S2/c1-3-4-7-8(2,5)6/h3H,1,4H2,2H3
InChIKey
UWKDUBWNZZTSQL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
37.5
TPSA
34.14

LogP / Solubility

WLOGP
0.87
MLOGP
0.76
XLogP3
0.7
Consensus LogP
0.78
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
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)
-3.03

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

Customers Also Viewed

Get In Touch

Contact Us