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CAS 5840-81-3 2-THIOXOTETRAHYDRO-1,3-OXAZOLE molecular structure lightbox
CAS RN: 5840-81-3

2-THIOXOTETRAHYDRO-1,3-OXAZOLE

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250227 100mg In stock Shanghai Inquiry
Batchno.20260401 1g In stock Shanghai Inquiry
Batchno.20250413 250mg In stock Shanghai Inquiry
Batchno.20251214 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS5840-81-3
  • Purity/Analytical Methods: >99.0%
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5840-81-3 / 1,3-oxazolidine-2-thione

Standard CAS: 5840-81-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5840-81-3
Multi CAS
Yes
Molecular Formula
C3H5NOS
Molecular Weight
103.150000
Exact Mass
103.009185
InChI
InChI=1S/C3H5NOS/c6-3-4-1-2-5-3/h1-2H2,(H,4,6)
InChIKey
UMURLIQHQSKULR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.67
H-bond acceptors
2
H-bond donors
1
Molar refractivity
26.55
TPSA
21.26

LogP / Solubility

WLOGP
-0.11
MLOGP
-0.11
XLogP3
0.3
Consensus LogP
0.03
Log S (ESOL)
-0.41
Class (ESOL)
Very soluble
Log S (Ali)
-0.33
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.24
Class (SILICOS-IT)
Very 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)
-3.43

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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