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CAS 17689-17-7 5-CARBOXY-1-PENTANETHIOL molecular structure lightbox
CAS RN: 17689-17-7

5-CARBOXY-1-PENTANETHIOL

Product Availability

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5 package records5 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260424 1g In stock Inquiry
Batchno.20260122 250mg In stock Inquiry
Batchno.20260124 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260507 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250907 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Guangdong Inquiry
  • Product code: SSC-077387
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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: 1g
  • Available purity: 90%
  • 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 17689-17-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g 90% 0 Out of Stock Beijing Inquiry

17689-17-7 / 6-sulfanylhexanoic acid

Standard CAS: 17689-17-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17689-17-7
Multi CAS
No
Molecular Formula
C6H12O2S
Molecular Weight
148.230000
Exact Mass
148.055801
SMILES
C(CCC(=O)O)CCS
InChI
InChI=1S/C6H12O2S/c7-6(8)4-2-1-3-5-9/h9H,1-5H2,(H,7,8)
InChIKey
CMNQZZPAVNBESS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.96
TPSA
37.3

LogP / Solubility

WLOGP
1.56
MLOGP
1.37
XLogP3
0.6
Consensus LogP
1.18
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.52
Class (SILICOS-IT)
Moderately 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)
-2.52

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

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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