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CAS 287-27-4 TRIMETHYLENE SULFIDE molecular structure lightbox
CAS RN: 287-27-4

TRIMETHYLENE SULFIDE

  • Product code: SSC-130315
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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: 5g
  • 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 287-27-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Shenzhen Inquiry

287-27-4 / thietane

Standard CAS: 287-27-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
287-27-4
Multi CAS
Yes
Molecular Formula
C3H6S
Molecular Weight
74.150000
Exact Mass
74.019021
InChI
InChI=1S/C3H6S/c1-2-4-3-1/h1-3H2
InChIKey
XSROQCDVUIHRSI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
4
Fraction Csp3
1
H-bond acceptors
1
Molar refractivity
21.94
TPSA
25.3000

LogP / Solubility

WLOGP
1.12
MLOGP
0.97
XLogP3
1
Consensus LogP
1.03
Log S (ESOL)
-1.01
Class (ESOL)
Soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.07
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)
-2.37

Drug-likeness / Medicinal Chemistry

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

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