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CAS 34840-23-8 1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudoeura molecular structure lightbox
CAS RN: 34840-23-8

1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudoeura

  • Product code: SSC-141494
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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, 100g
  • 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 34840-23-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry
100g ≥95% 0 Out of Stock Shenzhen Inquiry

34840-23-8 / methyl N-[(methoxycarbonylamino)-methylsulfanylmethylidene]carbamate

Standard CAS: 34840-23-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34840-23-8
Multi CAS
Yes
Molecular Formula
C6H10N2O4S
Molecular Weight
206.220000
Exact Mass
206.036128
InChI
InChI=1S/C6H10N2O4S/c1-11-5(9)7-4(13-3)8-6(10)12-2/h1-3H3,(H,7,8,9,10)
InChIKey
KHBXLYPOXVQKJG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
48.9
TPSA
76.99

LogP / Solubility

WLOGP
0.83
MLOGP
0.73
XLogP3
1.7
Consensus LogP
1.09
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.39

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

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