CAS RN: 10152-77-9
1-Propene, 1-(methylthio)-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250618 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS10152-77-9
- Purity/Analytical Methods: >99.0%
10152-77-9 / (E)-1-methylsulfanylprop-1-ene
1-(Methylthio)-1-propene | DTXSID20864227 | RefChem:428021
Basic Information
CAS
10152-77-9
Multi CAS
Yes
Molecular Formula
C4H8S
Molecular Weight
88.170000
Exact Mass
88.034671
SMILES
C/C=C/SC
InChI
InChI=1S/C4H8S/c1-3-4-5-2/h3-4H,1-2H3/b4-3+
InChIKey
YJOGCMRDEUBRJD-ONEGZZNKSA-N
Synonyms
1-(Methylthio)-1-propene
DTXSID20864227
RefChem:428021
DTXCID50812771
1-methylsulfanylprop-1-ene
Physical Properties
Density
0.887-0.893 (20°)
Physical Description
Clear to pale yellow liquid; Acrid strong garlic-like aroma
State
Liquid
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
Safety & Transport
Pictogram(s)
Flammable
Irritant
Signal
Danger
GHS Hazard Statements
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
H302 (96.2%): Harmful if swallowed [Warning Acute toxicity, oral]
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501
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