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CAS 104366-23-6 2-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile molecular structure lightbox
CAS RN: 104366-23-6

2-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile

Product Availability

Choose a grade to view its available package options.

6 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityInquiry
Batchno.20250315 1g In stock Inquiry
Batchno.20260222 25g In stock Inquiry
Batchno.20251007 5g In stock Inquiry
Batch No.PackageAvailabilityInquiry
Batchno.20250801 1g Out of stock Inquiry
Batchno.20251020 250mg Out of stock Inquiry
Batchno.20260524 5g Out of stock Inquiry
  • Product code: SSC-006134
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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, 5g, 10g, 25g
  • 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 104366-23-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Beijing Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry
10g >97% 0 Out of Stock Beijing Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry

104366-23-6 / 2-amino-4-chloro-5-formylthiophene-3-carbonitrile

2-amino-4-chloro-5-formyl-3-thiophenecarbonitrile | RefChem:464261 | 622-475-9

Standard CAS: 104366-23-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
104366-23-6
Multi CAS
Yes
Molecular Formula
C6H3ClN2OS
Molecular Weight
186.620000
Exact Mass
185.965462
SMILES
C(=O)C1=C(C(=C(S1)N)C#N)Cl
InChI
InChI=1S/C6H3ClN2OS/c7-5-3(1-8)6(9)11-4(5)2-10/h2H,9H2
InChIKey
XIZSUYSWKGAOCN-UHFFFAOYSA-N
Synonyms
2-amino-4-chloro-5-formyl-3-thiophenecarbonitrile RefChem:464261 622-475-9 2-amino-4-chloro-5-formylthiophene-3-carbonitrile 2-Amino-4-chloro-3-cyano-5-formylthiophene

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
43.84
TPSA
66.88

LogP / Solubility

WLOGP
1.67
MLOGP
1.47
XLogP3
1.9
Consensus LogP
1.68
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
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)
-2.67

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)
Corrosive Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P260, P261, P264, P270, P272, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P405, and P501

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