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CAS 38004-59-0 1,3,5-Benzenetrithiol molecular structure lightbox
CAS RN: 38004-59-0

1,3,5-Benzenetrithiol

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250628 1g In stock Inquiry
Batchno.20250623 200mg In stock Inquiry
Batchno.20260106 250mg In stock Inquiry
Batchno.20251005 5g In stock Inquiry
  • Product code: SSC-145449
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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: ≥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 38004-59-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Beijing Inquiry

38004-59-0 / benzene-1,3,5-trithiol

Standard CAS: 38004-59-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
38004-59-0
Multi CAS
No
Molecular Formula
C6H6S3
Molecular Weight
174.300000
Exact Mass
173.963164
InChI
InChI=1S/C6H6S3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H
InChIKey
KXCKKUIJCYNZAE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
48.2
TPSA
3.0000

LogP / Solubility

WLOGP
2.55
MLOGP
2.24
XLogP3
2.4
Consensus LogP
2.4
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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)
-1.97

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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