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CAS 1070886-43-9 5-chlorothiophen-2-aMine hydrochloride molecular structure lightbox
CAS RN: 1070886-43-9

5-chlorothiophen-2-aMine hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250417 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1070886-43-9
  • Purity/Analytical Methods: >99.0%
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1070886-43-9 / 5-chlorothiophen-2-amine;hydrochloride

5-Chlorothiophen-2-amine hydrochloride | 5-chlorothiophen-2-amine;hydrochloride | SCHEMBL17267426

Standard CAS: 1070886-43-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1070886-43-9
Multi CAS
No
Molecular Formula
C4H5Cl2NS
Molecular Weight
170.060000
Exact Mass
168.951976
SMILES
C1=C(SC(=C1)Cl)N.Cl
InChI
InChI=1S/C4H4ClNS.ClH/c5-3-1-2-4(6)7-3;/h1-2H,6H2;1H
InChIKey
XXXVGLUJJDGMTM-UHFFFAOYSA-N
Synonyms
5-Chlorothiophen-2-amine hydrochloride 5-chlorothiophen-2-amine;hydrochloride SCHEMBL17267426 DTXSID10735270 XXXVGLUJJDGMTM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.99
TPSA
26.02

LogP / Solubility

WLOGP
2.41
MLOGP
2.11
XLogP3
2.41
Consensus LogP
2.31
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
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)
-2.05

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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