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CAS 103979-54-0 1H-thieno[2,3-d][1,3]oxazine-2,4-dione molecular structure lightbox
CAS RN: 103979-54-0

1H-thieno[2,3-d][1,3]oxazine-2,4-dione

  • Product code: SSC-005640
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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: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 103979-54-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

103979-54-0 / 1H-thieno[2,3-d][1,3]oxazine-2,4-dione

1H,2H,4H-thieno[2,3-d][1,3]oxazine-2,4-dione | 1H,2H,4H-thieno(2,3-d)(1,3)oxazine-2,4-dione | RefChem:437725

Standard CAS: 103979-54-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
103979-54-0
Multi CAS
No
Molecular Formula
C6H3NO3S
Molecular Weight
169.160000
Exact Mass
168.983364
SMILES
C1=CSC2=C1C(=O)OC(=O)N2
InChI
InChI=1S/C6H3NO3S/c8-5-3-1-2-11-4(3)7-6(9)10-5/h1-2H,(H,7,9)
InChIKey
YPNJLKYQXUBRHJ-UHFFFAOYSA-N
Synonyms
1H,2H,4H-thieno[2,3-d][1,3]oxazine-2,4-dione 1H,2H,4H-thieno(2,3-d)(1,3)oxazine-2,4-dione RefChem:437725 808-843-3 1H-Thieno[2,3-d][1,3]oxazine-2,4-dione

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
40.98
TPSA
63.07

LogP / Solubility

WLOGP
0.54
MLOGP
0.47
XLogP3
1
Consensus LogP
0.67
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
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)
-3.37

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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