![CAS 433212-75-0 Hydrazinecarbothioamide, 2-[1-(2-thienyl)ethylidene]-, (2Z)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/433212-75-0.gif)
CAS RN: 433212-75-0
Hydrazinecarbothioamide, 2-[1-(2-thienyl)ethylidene]-, (2Z)-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250527 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS433212-75-0
- Purity/Analytical Methods: >99.0%
433212-75-0 / (1-thiophen-2-ylethylideneamino)thiourea
Basic Information
CAS
433212-75-0
Multi CAS
Yes
Molecular Formula
C7H9N3S2
Molecular Weight
199.300000
Exact Mass
199.023790
InChI
InChI=1S/C7H9N3S2/c1-5(9-10-7(8)11)6-3-2-4-12-6/h2-4H,1H3,(H3,8,10,11)/b9-5-
InChIKey
PJVHAJJEMJNPHN-UITAMQMPSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
56.45
TPSA
50.41
LogP / Solubility
WLOGP
1.31
MLOGP
1.15
XLogP3
1.6
Consensus LogP
1.35
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately 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)
-3.01
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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