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CAS 121071-71-4 Dimethyl 4-aminothiophene-2,3-dicarboxylate hydrochloride molecular structure lightbox
CAS RN: 121071-71-4

Dimethyl 4-aminothiophene-2,3-dicarboxylate hydrochloride

Product Availability

Choose a grade to view its available package options.

7 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251220 100mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20251105 10g Out of stock Inquiry
Batchno.20260607 1g In stock Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260115 1g / 5g Confirm by inquiry Shanghai Inquiry
Batchno.20260618 250mg In stock Tianjin, Chengdu Inquiry
Batchno.20250629 25g In stock Shanghai Inquiry
Batchno.20250624 5g In stock Shenzhen, Wuhan Inquiry
  • Product code: SSC-022422
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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 121071-71-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

121071-71-4 / dimethyl 4-aminothiophene-2,3-dicarboxylate;hydrochloride

Dimethyl 4-aminothiophene-2,3-dicarboxylate Hydrochloride | DTXSID20384571 | RefChem:338605

Standard CAS: 121071-71-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
121071-71-4
Multi CAS
Yes
Molecular Formula
C8H10ClNO4S
Molecular Weight
251.690000
Exact Mass
251.001907
SMILES
COC(=O)C1=C(SC=C1N)C(=O)OC.Cl
InChI
InChI=1S/C8H9NO4S.ClH/c1-12-7(10)5-4(9)3-14-6(5)8(11)13-2;/h3H,9H2,1-2H3;1H
InChIKey
RETIFGMAGNDLAN-UHFFFAOYSA-N
Synonyms
Dimethyl 4-aminothiophene-2,3-dicarboxylate Hydrochloride DTXSID20384571 RefChem:338605 DTXCID90335595 MFCD00205189

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
58.66
TPSA
78.62

LogP / Solubility

WLOGP
1.33
MLOGP
1.17
XLogP3
1.33
Consensus LogP
1.28
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
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] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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