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CAS 1613-51-0 Pentamethylene Sulfide molecular structure lightbox
CAS RN: 1613-51-0

Pentamethylene Sulfide

  • Product code: SSC-068951
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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: ≥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 1613-51-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1613-51-0 / thiane

Standard CAS: 1613-51-0 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1613-51-0
Multi CAS
No
Molecular Formula
C5H10S
Molecular Weight
102.200000
Exact Mass
102.050321
SMILES
C1CCSCC1
InChI
InChI=1S/C5H10S/c1-2-4-6-5-3-1/h1-5H2
InChIKey
YPWFISCTZQNZAU-UHFFFAOYSA-N

Physical Properties

Physical Description
Colorless liquid with an unpleasant odor
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
H-bond acceptors
1
Molar refractivity
31.18
TPSA
25.3000

LogP / Solubility

WLOGP
1.9
MLOGP
1.66
XLogP3
1.7
Consensus LogP
1.75
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
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)
-1.99

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Flammable
Signal
Danger
GHS Hazard Statements
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501

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