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CAS 10441-57-3 1-Methylpyrrolidine-2-thione molecular structure lightbox
CAS RN: 10441-57-3

1-Methylpyrrolidine-2-thione

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250713 100g In stock Shanghai Inquiry
Batchno.20250904 1g In stock Shanghai, Wuhan Inquiry
Batchno.20250918 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20250930 5g In stock Shanghai Inquiry
  • Product code: SSC-006168
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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: ≥97%
  • 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 10441-57-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry

10441-57-3 / 1-methylpyrrolidine-2-thione

1-Methylpyrrolidine-2-thione | DTXSID00341743 | RefChem:434682

Standard CAS: 10441-57-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10441-57-3
Multi CAS
Yes
Molecular Formula
C5H9NS
Molecular Weight
115.200000
Exact Mass
115.045570
SMILES
CN1CCCC1=S
InChI
InChI=1S/C5H9NS/c1-6-4-2-3-5(6)7/h2-4H2,1H3
InChIKey
OQILOJRSIWGQSM-UHFFFAOYSA-N
Synonyms
1-Methylpyrrolidine-2-thione DTXSID00341743 RefChem:434682 DTXCID60292823 677-520-5

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.8
H-bond acceptors
1
Molar refractivity
34.46
TPSA
3.24

LogP / Solubility

WLOGP
1.04
MLOGP
0.9
XLogP3
0.4
Consensus LogP
0.78
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.27
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)
-2.68

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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