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CAS 626-26-6 sec-Butyl Sulfide molecular structure lightbox
CAS RN: 626-26-6

sec-Butyl Sulfide

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260607 100g In stock Shanghai Inquiry
Batchno.20250412 25g In stock Shanghai, Guangdong Inquiry
  • Product code: SSC-171835
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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 626-26-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

626-26-6 / 2-ethylhexane-1-thiol

Standard CAS: 626-26-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
626-26-6
Multi CAS
Yes
Molecular Formula
C8H18S
Molecular Weight
146.300000
Exact Mass
146.112922
InChI
InChI=1S/C8H18S/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3
InChIKey
UCJMHYXRQZYNNL-UHFFFAOYSA-N

Physical Properties

Melting Point
-40.00 to -39.00 °C. @ 760.00 mm Hg
Boiling Point
178.00 to 182.00 °C. @ 760.00 mm Hg
Density
0.817-0.827
Physical Description
colourless to pale yellow liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.16
TPSA
1.0000

LogP / Solubility

WLOGP
3.13
MLOGP
2.75
XLogP3
4
Consensus LogP
3.29
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
Class (SILICOS-IT)
Poorly 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)
-1.39

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
2

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