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CAS 17636-10-1 Sodium 3-Mercapto-1-propanesulfonate molecular structure lightbox
CAS RN: 17636-10-1

Sodium 3-Mercapto-1-propanesulfonate

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250904 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250506 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-077248
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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: 25g
  • Available purity: ≥95%
  • 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 17636-10-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

17636-10-1 / sodium 3-sulfanylpropane-1-sulfonate

Standard CAS: 17636-10-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17636-10-1
Multi CAS
No
Molecular Formula
C3H7NaO3S2
Molecular Weight
178.200000
Exact Mass
177.973431
SMILES
C(CS)CS(=O)(=O)[O-].[Na+]
InChI
InChI=1S/C3H8O3S2.Na/c4-8(5,6)3-1-2-7;/h7H,1-3H2,(H,4,5,6);/q;+1/p-1
InChIKey
FRTIVUOKBXDGPD-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
33.03
TPSA
57.2

LogP / Solubility

WLOGP
-3.14
MLOGP
-2.77
XLogP3
-3.14
Consensus LogP
-3.02
Log S (ESOL)
1.23
Class (ESOL)
Highly soluble
Log S (Ali)
1.25
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.43
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.04

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 2087 of 2131 companies (only 2.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

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