[email protected]
CAS 118802-31-6 OXAZOLE-4-CARBOTHIOIC ACID AMIDE molecular structure lightbox
CAS RN: 118802-31-6

OXAZOLE-4-CARBOTHIOIC ACID AMIDE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250130 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-018906
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 118802-31-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

118802-31-6 / 1,3-oxazole-4-carbothioamide

Oxazole-4-carbothioamide | OXAZOLE-4-CARBOTHIOIC ACID AMIDE | 1,3-oxazole-4-carbothioamide

Standard CAS: 118802-31-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
118802-31-6
Multi CAS
No
Molecular Formula
C4H4N2OS
Molecular Weight
128.150000
Exact Mass
128.004434
SMILES
C1=C(N=CO1)C(=S)N
InChI
InChI=1S/C4H4N2OS/c5-4(8)3-1-7-2-6-3/h1-2H,(H2,5,8)
InChIKey
FLQJZCFWXSBVDA-UHFFFAOYSA-N
Synonyms
Oxazole-4-carbothioamide OXAZOLE-4-CARBOTHIOIC ACID AMIDE 1,3-oxazole-4-carbothioamide MFCD06738920 4-oxazolecarbothioamide

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
32.39
TPSA
52.05

LogP / Solubility

WLOGP
0.31
MLOGP
0.26
XLogP3
0.1
Consensus LogP
0.22
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-0.83
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.87
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)
-3.28

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

Customers Also Viewed

Get In Touch

Contact Us