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CAS 17665-59-7 2-(PHENYLSULFINYL)ACETAMIDOXIME molecular structure lightbox
CAS RN: 17665-59-7

2-(PHENYLSULFINYL)ACETAMIDOXIME

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251212 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250722 100mg In stock Shanghai Inquiry
Batchno.20250813 1g In stock Shanghai Inquiry
Batchno.20250303 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS17665-59-7
  • Purity/Analytical Methods: >99.0%
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17665-59-7 / 2-(benzenesulfinyl)-N'-hydroxyethanimidamide

Standard CAS: 17665-59-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17665-59-7
Multi CAS
No
Molecular Formula
C8H10N2O2S
Molecular Weight
198.240000
Exact Mass
198.046299
SMILES
C1=CC=C(C=C1)S(=O)C/C(=N/O)/N
InChI
InChI=1S/C8H10N2O2S/c9-8(10-11)6-13(12)7-4-2-1-3-5-7/h1-5,11H,6H2,(H2,9,10)
InChIKey
TVKYGAOWCSLWRX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
51.13
TPSA
75.68

LogP / Solubility

WLOGP
0.54
MLOGP
0.48
XLogP3
0.3
Consensus LogP
0.44
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
Class (SILICOS-IT)
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)
-3.55

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

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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