[email protected]
CAS 3561-67-9 Bis(phenylthio)methane molecular structure lightbox
CAS RN: 3561-67-9

Bis(phenylthio)methane

Product Availability

Choose a grade to view its available package options.

4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260514 100g Out of stock Inquiry
Batchno.20250113 1g In stock Inquiry
Batchno.20250601 25g Out of stock Inquiry
Batchno.20250712 5g In stock Inquiry
  • Product code: SSC-142641
GET A QUOTE
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: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 3561-67-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry

3561-67-9 / phenylsulfanylmethylsulfanylbenzene

Standard CAS: 3561-67-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3561-67-9
Multi CAS
Yes
Molecular Formula
C13H12S2
Molecular Weight
232.400000
Exact Mass
232.038043
InChI
InChI=1S/C13H12S2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h1-10H,11H2
InChIKey
ZHUPZVIALZHGGP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
69.47
TPSA
50.6000

LogP / Solubility

WLOGP
4.53
MLOGP
3.99
XLogP3
5.2
Consensus LogP
4.57
Log S (ESOL)
-4.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.92

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

Customers Also Viewed

Get In Touch

Contact Us