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CAS 17249-80-8 3-Chlorothiophene molecular structure lightbox
CAS RN: 17249-80-8

3-Chlorothiophene

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260523 100g In stock Shanghai Inquiry
Batchno.20251222 25g In stock Shanghai, Hebei Inquiry
Batchno.20250612 5g In stock Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-075821
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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, 10g, 25g, 100g
  • 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 17249-80-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry
10g ≥97% 0 Out of Stock Beijing Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry
100g ≥97% 0 Out of Stock Shanghai Inquiry

17249-80-8 / 3-chlorothiophene

Standard CAS: 17249-80-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17249-80-8
Multi CAS
No
Molecular Formula
C4H3ClS
Molecular Weight
118.590000
Exact Mass
117.964399
SMILES
C1=CSC=C1Cl
InChI
InChI=1S/C4H3ClS/c5-4-1-2-6-3-4/h1-3H
InChIKey
QUBJDMPBDURTJT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Aromatic heavy atom count
5
H-bond acceptors
1
Molar refractivity
29.33
TPSA
28.2000

LogP / Solubility

WLOGP
2.4
MLOGP
2.1
XLogP3
2.6
Consensus LogP
2.37
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
Class (SILICOS-IT)
Moderately 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)
-1.74

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 Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (13%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (87%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (84.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

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