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CAS 138-30-7 3-HYDRAZINO BENZENESULFONIC ACID molecular structure lightbox
CAS RN: 138-30-7

3-HYDRAZINO BENZENESULFONIC ACID

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250616 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS138-30-7
  • Purity/Analytical Methods: >99.0%
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138-30-7 / 3-hydrazinylbenzenesulfonic acid

Standard CAS: 138-30-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
138-30-7
Multi CAS
No
Molecular Formula
C6H8N2O3S
Molecular Weight
188.210000
Exact Mass
188.025563
SMILES
C1=CC(=CC(=C1)S(=O)(=O)O)NN
InChI
InChI=1S/C6H8N2O3S/c7-8-5-2-1-3-6(4-5)12(9,10)11/h1-4,8H,7H2,(H,9,10,11)
InChIKey
ZDGHHRPKFCVOJL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
44.07
TPSA
92.42

LogP / Solubility

WLOGP
0.22
MLOGP
0.19
XLogP3
-2.4
Consensus LogP
-0.66
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-3.71

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

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 104 of 104 companies. For more detailed information, please visit ECHA C&L website.

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