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CAS 14080-58-1 4-HYDRAZINOTHIENO[2,3-D]PYRIMIDINE molecular structure lightbox
CAS RN: 14080-58-1

4-HYDRAZINOTHIENO[2,3-D]PYRIMIDINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250614 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS14080-58-1
  • Purity/Analytical Methods: >99.0%
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14080-58-1 / thieno[2,3-d]pyrimidin-4-ylhydrazine

Standard CAS: 14080-58-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14080-58-1
Multi CAS
No
Molecular Formula
C6H6N4S
Molecular Weight
166.210000
Exact Mass
166.031317
SMILES
C1=CSC2=NC=NC(=C21)NN
InChI
InChI=1S/C6H6N4S/c7-10-5-4-1-2-11-6(4)9-3-8-5/h1-3H,7H2,(H,8,9,10)
InChIKey
PKZQIIZQFUXJNW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
45.23
TPSA
63.83

LogP / Solubility

WLOGP
0.98
MLOGP
0.86
XLogP3
0.7
Consensus LogP
0.85
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
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)
-3.04

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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