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CAS 38945-01-6 2-Thiophenesulfinicacid, sodium salt (1:1) molecular structure lightbox
CAS RN: 38945-01-6

2-Thiophenesulfinicacid, sodium salt (1:1)

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260104 100mg In stock Shanghai Inquiry
Batchno.20250905 10g In stock Shanghai Inquiry
Batchno.20250815 1g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20260212 250mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250104 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS38945-01-6
  • Purity/Analytical Methods: >99.0%
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38945-01-6 / sodium thiophene-2-sulfinate

Standard CAS: 38945-01-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
38945-01-6
Multi CAS
Yes
Molecular Formula
C4H3NAO2S2
Molecular Weight
170.200000
Exact Mass
169.947216
InChI
InChI=1S/C4H4O2S2.Na/c5-8(6)4-2-1-3-7-4;/h1-3H,(H,5,6);/q;+1/p-1
InChIKey
RRLLXOFIOPVYOP-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
31.5
TPSA
40.13

LogP / Solubility

WLOGP
-2.01
MLOGP
-1.77
XLogP3
-2.01
Consensus LogP
-1.93
Log S (ESOL)
0.03
Class (ESOL)
Highly soluble
Log S (Ali)
0.5
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.78
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.19

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
2

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