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CAS 1207-71-2 PHENOTHIAZINE-5-OXIDE molecular structure lightbox
CAS RN: 1207-71-2

PHENOTHIAZINE-5-OXIDE

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260428 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1207-71-2
  • Purity/Analytical Methods: >99.0%
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1207-71-2 / 10H-phenothiazine 5-oxide

Phenothiazine 5-oxide | Phenothiazine, 5-oxide | Phenothiazine-5-oxide

Standard CAS: 1207-71-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1207-71-2
Multi CAS
No
Molecular Formula
C12H9NOS
Molecular Weight
215.270000
Exact Mass
215.040485
SMILES
C1=CC=C2C(=C1)NC3=CC=CC=C3S2=O
InChI
InChI=1S/C12H9NOS/c14-15-11-7-3-1-5-9(11)13-10-6-2-4-8-12(10)15/h1-8,13H
InChIKey
DSAFSORWJPSMQS-UHFFFAOYSA-N
Synonyms
Phenothiazine 5-oxide Phenothiazine, 5-oxide Phenothiazine-5-oxide 10H-Phenothiazine, 5-oxide Phenothiazine S-oxide

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.84
TPSA
29.1

LogP / Solubility

WLOGP
2.91
MLOGP
2.56
XLogP3
2.3
Consensus LogP
2.59
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501

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