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CAS 139-65-1 Bis(4-aminophenyl) Sulfide molecular structure lightbox
CAS RN: 139-65-1

Bis(4-aminophenyl) Sulfide

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260606 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Guangdong, Shandong, Chongqing Inquiry
  • Product code: SSC-049143
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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: 25g
  • Available purity: ≥98%
  • 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 139-65-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Hong Kong Inquiry

139-65-1 / 4-(4-aminophenyl)sulfanylaniline

Standard CAS: 139-65-1 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
139-65-1
Multi CAS
No
Molecular Formula
C12H12N2S
Molecular Weight
216.300000
Exact Mass
216.072120
SMILES
C1=CC(=CC=C1N)SC2=CC=C(C=C2)N
InChI
InChI=1S/C12H12N2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2
InChIKey
ICNFHJVPAJKPHW-UHFFFAOYSA-N

Physical Properties

Melting Point
226 to 228 °F (NTP, 1992) 108.5 °C
Physical Description
4,4'-thiodianiline appears as needles or brown powder. (NTP, 1992) Brown solid; [CAMEO] Fine slightly violet crystals
Appearance
Needles (from water)
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992) PRECAUTIONS FOR "CARCINOGENS": Storage site should be as close as practical to lab in which carcinogens are to be used, so that only small quantities required for ... expt need to be carried. Carcinogens should be kept in only one section of cupboard, an explosion-proof refrigerator or freezer (depending on chemicophysical properties ...) that bears appropriate label. An inventory ... should be kept, showing quantity of carcinogen & date it was acquired ... Facilities for dispensing ... should be contiguous to storage area. /Chemical Carcinogens/

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
65.83
TPSA
52.04

LogP / Solubility

WLOGP
3
MLOGP
2.64
XLogP3
2.2
Consensus LogP
2.61
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
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)
-1.91

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 Environmental Hazard
Signal
Danger Warning
GHS Hazard Statements
H302: Harmful if swallowed [Warning Acute toxicity, oral] H350: May cause cancer [Danger Carcinogenicity] H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H350 (100%): May cause cancer [Danger Carcinogenicity]
Precautionary Statement Codes
P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, and P501 P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501

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