[email protected]
CAS 538-74-9 Benzyl Sulfide molecular structure lightbox
CAS RN: 538-74-9

Benzyl Sulfide

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250929 100g In stock Inquiry
Batchno.20250404 25g In stock Inquiry
Batchno.20260621 500g In stock Inquiry
Batchno.20250804 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260309 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-161197
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: 5g
  • Available purity: ≥98%
  • 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 538-74-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry

538-74-9 / benzylsulfanylmethylbenzene

Standard CAS: 538-74-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
538-74-9
Multi CAS
No
Molecular Formula
C14H14S
Molecular Weight
214.330000
Exact Mass
214.081622
InChI
InChI=1S/C14H14S/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey
LUFPJJNWMYZRQE-UHFFFAOYSA-N

Physical Properties

Melting Point
120 to 122 °F (NTP, 1992) 49.5 °C
Boiling Point
Decomposes (NTP, 1992)
Density
1.0712 at 122 °F (NTP, 1992) - Denser than water; will sink 1.0583 g/cu cm at 50 °C
Physical Description
Dibenzyl sulfide appears as colorless plates or pale beige crystalline solid with a crippling stench. (NTP, 1992) Colorless or pale beige solid with a crippling stench; [CAMEO]
Appearance
PLATES FROM ETHER OR CHLOROFORM COLORLESS PLATES
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
67.88
TPSA
25.3000

LogP / Solubility

WLOGP
4.12
MLOGP
3.63
XLogP3
3.9
Consensus LogP
3.88
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.95
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)
-1.1

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us