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CAS 689-09-8 methyl 3-amino-3-thioxopropanoate molecular structure lightbox
CAS RN: 689-09-8

methyl 3-amino-3-thioxopropanoate

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250912 1g In stock Shanghai, Guangdong Inquiry
Batchno.20250208 200mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-178566
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.25g, 10g, 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 689-09-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry
5g ≥95% 3 In Stock Shenzhen Inquiry
0.25g ≥95% 2 In Stock Shanghai Inquiry
10g ≥95% 2 In Stock Shanghai Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry

689-09-8 / methyl 3-amino-3-sulfanylidenepropanoate

Standard CAS: 689-09-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
689-09-8
Multi CAS
No
Molecular Formula
C4H7NO2S
Molecular Weight
133.170000
Exact Mass
133.019750
InChI
InChI=1S/C4H7NO2S/c1-7-4(6)2-3(5)8/h2H2,1H3,(H2,5,8)
InChIKey
DVXKSWIBOSXJRV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
33.42
TPSA
52.32

LogP / Solubility

WLOGP
-0.16
MLOGP
-0.15
XLogP3
-0.2
Consensus LogP
-0.17
Log S (ESOL)
-0.43
Class (ESOL)
Very soluble
Log S (Ali)
-0.53
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.63
Class (SILICOS-IT)
Very 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)
-3.65

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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