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CAS 21198-48-1 N,N-Diethylhydrazinecarbothioamide molecular structure lightbox
CAS RN: 21198-48-1

N,N-Diethylhydrazinecarbothioamide

  • Product code: SSC-101242
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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 21198-48-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

21198-48-1 / 3-amino-1,1-diethylthiourea

Standard CAS: 21198-48-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21198-48-1
Multi CAS
No
Molecular Formula
C5H13N3S
Molecular Weight
147.240000
Exact Mass
147.083019
SMILES
CCN(CC)C(=S)NN
InChI
InChI=1S/C5H13N3S/c1-3-8(4-2)5(9)7-6/h3-4,6H2,1-2H3,(H,7,9)
InChIKey
VHVCXPOTKXZFCZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.84
TPSA
41.29

LogP / Solubility

WLOGP
0.08
MLOGP
0.06
XLogP3
0.1
Consensus LogP
0.08
Log S (ESOL)
-0.67
Class (ESOL)
Very soluble
Log S (Ali)
-0.82
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.92
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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