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CAS 101-59-7 4-Amino-4′-nitrodiphenyl Sulfide molecular structure lightbox
CAS RN: 101-59-7

4-Amino-4′-nitrodiphenyl Sulfide

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251029 1g In stock Inquiry
Batchno.20250930 25g In stock Inquiry
Batchno.20251128 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250610 1g / 5g / 25g / 100g Confirm by inquiry Shandong 8-10 business days Inquiry
  • Product code: SSC-001823
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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: 5g
  • Available purity: ＞97%
  • 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 101-59-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

101-59-7 / 4-(4-nitrophenyl)sulfanylaniline

4-(p-Nitrophenylthio)aniline | RefChem:516580 | 4-Amino-4'-nitrodiphenyl sulfide

Standard CAS: 101-59-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
101-59-7
Multi CAS
Yes
Molecular Formula
C12H10N2O2S
Molecular Weight
246.290000
Exact Mass
246.046299
SMILES
C1=CC(=CC=C1N)SC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H10N2O2S/c13-9-1-5-11(6-2-9)17-12-7-3-10(4-8-12)14(15)16/h1-8H,13H2
InChIKey
ZBPKGHOGUVVDLF-UHFFFAOYSA-N
Synonyms
4-(p-Nitrophenylthio)aniline RefChem:516580 4-Amino-4'-nitrodiphenyl sulfide 4-((4-Nitrophenyl)thio)aniline Benzenamine, 4-[(4-nitrophenyl)thio]-

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.07
TPSA
69.16

LogP / Solubility

WLOGP
3.33
MLOGP
2.93
XLogP3
2.7
Consensus LogP
2.99
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.38
Class (SILICOS-IT)
Slightly 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)
-1.86

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant Health Hazard
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 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H351 (12.2%): Suspected of causing cancer [Warning Carcinogenicity]
Precautionary Statement Codes
P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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