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CAS 1108712-56-6 5-Chloro-3-thiophenecarbo… molecular structure lightbox
CAS RN: 1108712-56-6

5-Chloro-3-thiophenecarbo…

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251017 1g / 5g / 10g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-011806
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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 1108712-56-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1108712-56-6 / 5-chlorothiophene-3-carbonitrile

5-Chlorothiophene-3-carbonitrile | DTXSID10725550 | RefChem:302692

Standard CAS: 1108712-56-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1108712-56-6
Multi CAS
No
Molecular Formula
C5H2ClNS
Molecular Weight
143.590000
Exact Mass
142.959648
SMILES
C1=C(SC=C1C#N)Cl
InChI
InChI=1S/C5H2ClNS/c6-5-1-4(2-7)3-8-5/h1,3H
InChIKey
BBGRLEJFPILYFH-UHFFFAOYSA-N
Synonyms
5-Chlorothiophene-3-carbonitrile DTXSID10725550 RefChem:302692 DTXCID10676295 5-CHLORO-3-THIOPHENECARBONITRILE

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
H-bond acceptors
2
Molar refractivity
34.04
TPSA
23.79

LogP / Solubility

WLOGP
2.27
MLOGP
1.99
XLogP3
2.3
Consensus LogP
2.19
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
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)
-1.98

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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