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CAS 1374652-09-1 1-(tetrahydro-2H-thiopyran-4-yl)hydrazine dihydrochloride molecular structure lightbox
CAS RN: 1374652-09-1

1-(tetrahydro-2H-thiopyran-4-yl)hydrazine dihydrochloride

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3 package records0 with current stock1 grade group
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Batchno.20260316 100mg Out of stock Inquiry
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  • Product code: starshine_CAS1374652-09-1
  • Purity/Analytical Methods: >99.0%
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1374652-09-1 / thian-4-ylhydrazine;dihydrochloride

Standard CAS: 1374652-09-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1374652-09-1
Multi CAS
No
Molecular Formula
C5H14Cl2N2S
Molecular Weight
205.150000
Exact Mass
204.025475
SMILES
C1CSCCC1NN.Cl.Cl
InChI
InChI=1S/C5H12N2S.2ClH/c6-7-5-1-3-8-4-2-5;;/h5,7H,1-4,6H2;2*1H
InChIKey
MITZQANCLYNOBV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
52.17
TPSA
38.05

LogP / Solubility

WLOGP
1.19
MLOGP
1.05
XLogP3
1.19
Consensus LogP
1.14
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.1
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)
-3.13

Drug-likeness / Medicinal Chemistry

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

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