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CAS 534-13-4 1,3-Dimethylthiourea molecular structure lightbox
CAS RN: 534-13-4

1,3-Dimethylthiourea

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250626 100g In stock Inquiry
Batchno.20260524 25g In stock Inquiry
Batchno.20250609 5g In stock Inquiry
  • Product code: SSC-160730
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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: 5g, 10g, 25g, 100g
  • 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 534-13-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry
10g ≥97% 0 Out of Stock Shanghai Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry
100g ≥97% 0 Out of Stock Shanghai Inquiry

534-13-4 / 1,3-dimethylthiourea

Standard CAS: 534-13-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
534-13-4
Multi CAS
Yes
Molecular Formula
C3H8N2S
Molecular Weight
104.180000
Exact Mass
104.040819
InChI
InChI=1S/C3H8N2S/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)
InChIKey
VLCDUOXHFNUCKK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.67
H-bond acceptors
1
H-bond donors
2
Molar refractivity
30.72
TPSA
24.06

LogP / Solubility

WLOGP
-0.29
MLOGP
-0.27
XLogP3
-0.2
Consensus LogP
-0.25
Log S (ESOL)
-0.3
Class (ESOL)
Very soluble
Log S (Ali)
-0.2
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.1
Class (SILICOS-IT)
Very 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)
-3.56

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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