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CAS 929-98-6 Nonyl Sulfide molecular structure lightbox
CAS RN: 929-98-6

Nonyl Sulfide

  • Product code: SSC-206790
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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 929-98-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

929-98-6 / 1-nonylsulfanylnonane

Standard CAS: 929-98-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
929-98-6
Multi CAS
No
Molecular Formula
C18H38S
Molecular Weight
286.600000
Exact Mass
286.269422
InChI
InChI=1S/C18H38S/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
InChIKey
KMKSVAGOBVUFRO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
1
Rotatable bonds
16
H-bond acceptors
1
Molar refractivity
93.31
TPSA
25.3000

LogP / Solubility

WLOGP
7.22
MLOGP
6.36
XLogP3
8.8
Consensus LogP
7.46
Log S (ESOL)
-5.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.44
Class (SILICOS-IT)
Insoluble

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)
0.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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