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CAS 27832-57-1 3-Thietanol, 3-methyl- molecular structure lightbox
CAS RN: 27832-57-1

3-Thietanol, 3-methyl-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250819 1g / 5g / 10g Out of stock 5-7 business days Inquiry
  • Product code: SSC-128220
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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: ≥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 27832-57-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

27832-57-1 / 3-methylthietan-3-ol

Standard CAS: 27832-57-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27832-57-1
Multi CAS
No
Molecular Formula
C4H8OS
Molecular Weight
104.170000
Exact Mass
104.029586
InChI
InChI=1S/C4H8OS/c1-4(5)2-6-3-4/h5H,2-3H2,1H3
InChIKey
LJUDUAPODPCRRJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
27.95
TPSA
20.23

LogP / Solubility

WLOGP
0.48
MLOGP
0.41
XLogP3
0.2
Consensus LogP
0.36
Log S (ESOL)
-0.79
Class (ESOL)
Very soluble
Log S (Ali)
-0.76
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.74
Class (SILICOS-IT)
Very 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)
-3.01

Drug-likeness / Medicinal Chemistry

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

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