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CAS 1122-83-4 N-Thionylaniline molecular structure lightbox
CAS RN: 1122-83-4

N-Thionylaniline

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260121 5g / 25g / 100g / 500g Confirm by inquiry Chongqing, Shanghai, Shandong Inquiry
  • Product code: SSC-012678
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 100g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1122-83-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Hong Kong Inquiry

1122-83-4 / (sulfinylamino)benzene

N-Thionylaniline | N-Sulfinylaniline | Benzenamine, N-sulfinyl-

Standard CAS: 1122-83-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1122-83-4
Multi CAS
Yes
Molecular Formula
C6H5NOS
Molecular Weight
139.180000
Exact Mass
139.009185
SMILES
C1=CC=C(C=C1)N=S=O
InChI
InChI=1S/C6H5NOS/c8-9-7-6-4-2-1-3-5-6/h1-5H
InChIKey
FIOJWGRGPONADF-UHFFFAOYSA-N
Synonyms
N-Thionylaniline N-Sulfinylaniline Benzenamine, N-sulfinyl- Phenylsulfinylamine Thionylaniline

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
36.67
TPSA
29.43

LogP / Solubility

WLOGP
1.71
MLOGP
1.5
XLogP3
2.5
Consensus LogP
1.9
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.11
Class (SILICOS-IT)
Moderately 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)
-2.35

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H334 (97.6%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory] H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P233, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501

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