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CAS 1013-92-9 Di(piperidin-1-yl)methanethione molecular structure lightbox
CAS RN: 1013-92-9

Di(piperidin-1-yl)methanethione

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Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250620 50mg / 250mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS1013-92-9
  • Purity/Analytical Methods: >99.0%
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1013-92-9 / di(piperidin-1-yl)methanethione

Di(piperidin-1-yl)methanethione | DTXSID50501350 | RefChem:336857

Standard CAS: 1013-92-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1013-92-9
Multi CAS
No
Molecular Formula
C11H20N2S
Molecular Weight
212.360000
Exact Mass
212.134720
SMILES
C1CCN(CC1)C(=S)N2CCCCC2
InChI
InChI=1S/C11H20N2S/c14-11(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H2
InChIKey
UOOSIBHMBCFJRY-UHFFFAOYSA-N
Synonyms
Di(piperidin-1-yl)methanethione DTXSID50501350 RefChem:336857 DTXCID40452160 Methanethione, di-1-piperidinyl-

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.91
H-bond acceptors
1
Molar refractivity
63.45
TPSA
6.48

LogP / Solubility

WLOGP
2.24
MLOGP
1.98
XLogP3
2
Consensus LogP
2.07
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
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)
-2.42

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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