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CAS 139-66-2 Diphenyl sulfide molecular structure lightbox
CAS RN: 139-66-2

Diphenyl sulfide

Product Availability

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7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251220 100g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20251016 100g In stock Shanghai, Shandong, Chongqing, Hebei Inquiry
Batchno.20260619 2.5kg In stock Shandong Inquiry
Batchno.20251009 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260417 25g In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batchno.20250316 500g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250317 500g In stock Shanghai, Shandong, Guangdong Inquiry
  • Product code: starshine_CAS139-66-2
  • Purity/Analytical Methods: >99.0%
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139-66-2 / phenylsulfanylbenzene

Standard CAS: 139-66-2 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
139-66-2
Multi CAS
No
Molecular Formula
C12H10S
Molecular Weight
186.270000
Exact Mass
186.050321
SMILES
C1=CC=C(C=C1)SC2=CC=CC=C2
InChI
InChI=1S/C12H10S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
InChIKey
LTYMSROWYAPPGB-UHFFFAOYSA-N

Physical Properties

Physical Description
Colorless nearly odorless liquid; [Merck Index] Unpleasant odor
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
57.01
TPSA
25.3000

LogP / Solubility

WLOGP
3.84
MLOGP
3.38
XLogP3
4.5
Consensus LogP
3.91
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.3
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.13

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 Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H400 (95.3%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (96.9%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P270, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, P391, and P501

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