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CAS 1090-78-4 2-DIMETHYL AMINO SULFONYL PHENTHIAZINE molecular structure lightbox
CAS RN: 1090-78-4

2-DIMETHYL AMINO SULFONYL PHENTHIAZINE

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Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250515 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 15 business days Inquiry
  • Product code: starshine_CAS1090-78-4
  • Purity/Analytical Methods: >99.0%
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1090-78-4 / N,N-dimethyl-10H-phenothiazine-2-sulfonamide

n,n-dimethyl-10h-phenothiazine-2-sulfonamide | N,N-Dimethylphenothiazine-2-sulphonamide | EINECS 214-128-1

Standard CAS: 1090-78-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1090-78-4
Multi CAS
Yes
Molecular Formula
C14H14N2O2S2
Molecular Weight
306.400000
Exact Mass
306.049670
SMILES
CN(C)S(=O)(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2
InChI
InChI=1S/C14H14N2O2S2/c1-16(2)20(17,18)10-7-8-14-12(9-10)15-11-5-3-4-6-13(11)19-14/h3-9,15H,1-2H3
InChIKey
KMMXCCWCGOUAGH-UHFFFAOYSA-N
Synonyms
n,n-dimethyl-10h-phenothiazine-2-sulfonamide N,N-Dimethylphenothiazine-2-sulphonamide EINECS 214-128-1 M78EGD9DE8 10H-Phenothiazine-2-sulfonamide, N,N-dimethyl-

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
81.16
TPSA
49.41

LogP / Solubility

WLOGP
3.15
MLOGP
2.78
XLogP3
2.8
Consensus LogP
2.91
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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