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CAS 4104-45-4 3-(METHYLTHIO)PROPYLAMINE molecular structure lightbox
CAS RN: 4104-45-4

3-(METHYLTHIO)PROPYLAMINE

Product Availability

Choose a grade to view its available package options.

2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251107 1ml / 5ml / 25ml Confirm by inquiry Shanghai, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250602 1ml / 5ml Out of stock 8-10 business days Inquiry
  • Product code: SSC-149446
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 4104-45-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Beijing Inquiry

4104-45-4 / 3-methylsulfanylpropan-1-amine

Standard CAS: 4104-45-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
4104-45-4
Multi CAS
Yes
Molecular Formula
C4H11NS
Molecular Weight
105.200000
Exact Mass
105.061221
InChI
InChI=1S/C4H11NS/c1-6-4-2-3-5/h2-5H2,1H3
InChIKey
KKYSBGWCYXYOHA-UHFFFAOYSA-N

Physical Properties

Density
0.958-0.964 (20°)
Physical Description
Clear slightly yellow liquid; Pungent penetrating aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
32.05
TPSA
26.02

LogP / Solubility

WLOGP
0.7
MLOGP
0.6
XLogP3
0.3
Consensus LogP
0.53
Log S (ESOL)
-0.73
Class (ESOL)
Very soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.28
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)
-2.87

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

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