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CAS 543-18-0 GUANIDINOETHYL SULFONATE molecular structure lightbox
CAS RN: 543-18-0

GUANIDINOETHYL SULFONATE

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6 package records6 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260311 1g In stock Shanghai Inquiry
Batchno.20260611 250mg In stock Shanghai Inquiry
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Batchno.20250307 100mg In stock Shanghai, Shandong Inquiry
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  • Product code: starshine_CAS543-18-0
  • Purity/Analytical Methods: >99.0%
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543-18-0 / 2-(diaminomethylideneamino)ethanesulfonic acid

Standard CAS: 543-18-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
543-18-0
Multi CAS
Yes
Molecular Formula
C3H9N3O3S
Molecular Weight
167.190000
Exact Mass
167.036462
InChI
InChI=1S/C3H9N3O3S/c4-3(5)6-1-2-10(7,8)9/h1-2H2,(H4,4,5,6)(H,7,8,9)
InChIKey
JKLRIMRKZBSSED-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
37.09
TPSA
118.77

LogP / Solubility

WLOGP
-1.85
MLOGP
-1.63
XLogP3
-2.4
Consensus LogP
-1.96
Log S (ESOL)
0.49
Class (ESOL)
Highly soluble
Log S (Ali)
0.41
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.43
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)
-5.06

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

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