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CAS 10591-85-2 Tetrabenzylthiuram Disulfide molecular structure lightbox
CAS RN: 10591-85-2

Tetrabenzylthiuram Disulfide

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250811 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-007565
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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: ＞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 10591-85-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shanghai Inquiry

10591-85-2 / dibenzylcarbamothioylsulfanyl N,N-dibenzylcarbamodithioate

Tetrabenzylthiuram disulfide | tetrakis(phenylmethyl)thioperoxydi(carbothioamide) | DTXSID20872988

Standard CAS: 10591-85-2 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
10591-85-2
Multi CAS
No
Molecular Formula
C30H28N2S4
Molecular Weight
544.800000
Exact Mass
544.113534
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)SSC(=S)N(CC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C30H28N2S4/c33-29(31(21-25-13-5-1-6-14-25)22-26-15-7-2-8-16-26)35-36-30(34)32(23-27-17-9-3-10-18-27)24-28-19-11-4-12-20-28/h1-20H,21-24H2
InChIKey
WITDFSFZHZYQHB-UHFFFAOYSA-N
Synonyms
Tetrabenzylthiuram disulfide tetrakis(phenylmethyl)thioperoxydi(carbothioamide) DTXSID20872988 EC 404-310-0 Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), tetrakis(phenylmethyl)-

Physical Properties

Physical Description
Dry Powder; Water or Solvent Wet Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
24
Fraction Csp3
0.13
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
164.64
TPSA
6.48

LogP / Solubility

WLOGP
8.34
MLOGP
7.38
XLogP3
7.7
Consensus LogP
7.81
Log S (ESOL)
-8.44
Class (ESOL)
Insoluble
Log S (Ali)
-10.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.09
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.12

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

Safety & Transport

GHS Hazard Statements
H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard] H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard] H413 (97.2%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501

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