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CAS 4136-91-8 Tetraisopropylthiuram Disulfide molecular structure lightbox
CAS RN: 4136-91-8

Tetraisopropylthiuram Disulfide

  • Product code: SSC-149809
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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: 1g
  • Available purity: ≥95%
  • 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 4136-91-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

4136-91-8 / di(propan-2-yl)carbamothioylsulfanyl N,N-di(propan-2-yl)carbamodithioate

Standard CAS: 4136-91-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4136-91-8
Multi CAS
Yes
Molecular Formula
C14H28N2S4
Molecular Weight
352.700000
Exact Mass
352.113534
InChI
InChI=1S/C14H28N2S4/c1-9(2)15(10(3)4)13(17)19-20-14(18)16(11(5)6)12(7)8/h9-12H,1-8H3
InChIKey
ZUYREEAWHZRZDX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.86
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
104.6
TPSA
6.48

LogP / Solubility

WLOGP
5.18
MLOGP
4.57
XLogP3
4.9
Consensus LogP
4.88
Log S (ESOL)
-5.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.73
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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