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CAS 20582-85-8 4-(METHYLTHIO)BUTANOL molecular structure lightbox
CAS RN: 20582-85-8

4-(METHYLTHIO)BUTANOL

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260221 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-096946
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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: ＞99%
  • 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 20582-85-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞99% 0 Out of Stock Hong Kong Inquiry

20582-85-8 / 4-methylsulfanylbutan-1-ol

Standard CAS: 20582-85-8 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
20582-85-8
Multi CAS
No
Molecular Formula
C5H12OS
Molecular Weight
120.220000
Exact Mass
120.060886
SMILES
CSCCCCO
InChI
InChI=1S/C5H12OS/c1-7-5-3-2-4-6/h6H,2-5H2,1H3
InChIKey
JNTVUHZXIJFHAU-UHFFFAOYSA-N

Physical Properties

Boiling Point
95.00 to 98.00 °C. @ 20.00 mm Hg
Density
0.990-0.997
Physical Description
sulfury,potato, or green vegetable odour

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.7
TPSA
20.23

LogP / Solubility

WLOGP
1.12
MLOGP
0.98
XLogP3
0.9
Consensus LogP
1
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-1.36
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
Class (SILICOS-IT)
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)
-2.66

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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