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CAS 110076-44-3 O-CHLORAMINE T molecular structure lightbox
CAS RN: 110076-44-3

O-CHLORAMINE T

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Batchno.20250410 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS110076-44-3
  • Purity/Analytical Methods: >99.0%
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110076-44-3 / sodium chloro-(2-methylphenyl)sulfonylazanide

o-Chloramine T | RefChem:855215 | 679-646-6

Standard CAS: 110076-44-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
110076-44-3
Multi CAS
Yes
Molecular Formula
C7H7ClNNaO2S
Molecular Weight
227.640000
Exact Mass
226.978372
SMILES
CC1=CC=CC=C1S(=O)(=O)[N-]Cl.[Na+]
InChI
InChI=1S/C7H7ClNO2S.Na/c1-6-4-2-3-5-7(6)12(10,11)9-8;/h2-5H,1H3;/q-1;+1
InChIKey
BMVGZYMMLBPFDA-UHFFFAOYSA-N
Synonyms
o-Chloramine T RefChem:855215 679-646-6 sodium;chloro-(2-methylphenyl)sulfonylazanide Sodium o-Toluenesulfonchloramide

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
47.58
TPSA
48.24

LogP / Solubility

WLOGP
-0.78
MLOGP
-0.69
XLogP3
-0.78
Consensus LogP
-0.75
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-0.86
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.73
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.67

Drug-likeness / Medicinal Chemistry

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

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]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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