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CAS 694-68-8 MTH-GLYCINE molecular structure lightbox
CAS RN: 694-68-8

MTH-GLYCINE

  • Product code: SSC-179067
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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 694-68-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

694-68-8 / 3-methyl-2-sulfanylideneimidazolidin-4-one

Standard CAS: 694-68-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
694-68-8
Multi CAS
Yes
Molecular Formula
C4H6N2OS
Molecular Weight
130.170000
Exact Mass
130.020084
InChI
InChI=1S/C4H6N2OS/c1-6-3(7)2-5-4(6)8/h2H2,1H3,(H,5,8)
InChIKey
MEJHYNPOIFOIIU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.37
TPSA
32.34

LogP / Solubility

WLOGP
-0.67
MLOGP
-0.6
XLogP3
-0.3
Consensus LogP
-0.52
Log S (ESOL)
-0.23
Class (ESOL)
Very soluble
Log S (Ali)
-0.15
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.05
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-3.99

Drug-likeness / Medicinal Chemistry

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

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