[email protected]
CAS 13752-51-7 4-[(4-Morpholinylthio)thioxomethyl]-morpholine molecular structure lightbox
CAS RN: 13752-51-7

4-[(4-Morpholinylthio)thioxomethyl]-morpholine

Product Availability

Available package options are listed below.

1 package records1 with current stock
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250718 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Hebei Inquiry
  • Product code: starshine_CAS13752-51-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

13752-51-7 / morpholin-4-yl morpholine-4-carbodithioate

Standard CAS: 13752-51-7 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
13752-51-7
Multi CAS
No
Molecular Formula
C9H16N2O2S2
Molecular Weight
248.400000
Exact Mass
248.065320
SMILES
C1COCCN1C(=S)SN2CCOCC2
InChI
InChI=1S/C9H16N2O2S2/c14-9(10-1-5-12-6-2-10)15-11-3-7-13-8-4-11/h1-8H2
InChIKey
HOEFWOBLOGZQIQ-UHFFFAOYSA-N

Physical Properties

Physical Description
Dry Powder, Pellets or Large Crystals
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
64.97
TPSA
24.94

LogP / Solubility

WLOGP
0.58
MLOGP
0.52
XLogP3
0.3
Consensus LogP
0.47
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.88
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)
-3.82

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

Safety & Transport

Pictogram(s)
Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H350 (98.3%): May cause cancer [Danger Carcinogenicity] H411 (98.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P203, P273, P280, P318, P391, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us