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CAS 34300-94-2 3-Mercapto-3-methyl-1-butanol molecular structure lightbox
CAS RN: 34300-94-2

3-Mercapto-3-methyl-1-butanol

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250924 1g In stock Shanghai, Shandong Inquiry
Batchno.20260429 5g In stock Shanghai Inquiry
  • Product code: SSC-140630
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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, 5g, 10g, 25g
  • 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 34300-94-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry
5g ≥98% 0 Out of Stock Beijing Inquiry
10g ≥98% 0 Out of Stock Shanghai Inquiry
25g ≥98% 0 Out of Stock Shanghai Inquiry

34300-94-2 / 3-methyl-3-sulfanylbutan-1-ol

Standard CAS: 34300-94-2 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
34300-94-2
Multi CAS
No
Molecular Formula
C5H12OS
Molecular Weight
120.220000
Exact Mass
120.060886
InChI
InChI=1S/C5H12OS/c1-5(2,7)3-4-6/h6-7H,3-4H2,1-2H3
InChIKey
GBCGIJAYTBMFHI-UHFFFAOYSA-N

Physical Properties

Boiling Point
186.00 °C. @ 730.00 mm Hg
Density
0.989 (20°)

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
34.77
TPSA
20.23

LogP / Solubility

WLOGP
1.08
MLOGP
0.94
XLogP3
0.8
Consensus LogP
0.94
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-1.32
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
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)
-2.69

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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