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CAS 1201897-41-7 3-Methyloxathiazolidine 2,2-dioxide molecular structure lightbox
CAS RN: 1201897-41-7

3-Methyloxathiazolidine 2,2-dioxide

  • Product code: SSC-021000
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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 1201897-41-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1201897-41-7 / 3-methyloxathiazolidine 2,2-dioxide

3-METHYLOXATHIAZOLIDINE 2,2-DIOXIDE | 3-Methyl-1,2,3-oxathiazolidine 2,2-dioxide | MFCD22123263

Standard CAS: 1201897-41-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1201897-41-7
Multi CAS
No
Molecular Formula
C3H7NO3S
Molecular Weight
137.160000
Exact Mass
137.014664
SMILES
CN1CCOS1(=O)=O
InChI
InChI=1S/C3H7NO3S/c1-4-2-3-7-8(4,5)6/h2-3H2,1H3
InChIKey
OCZXFIROFFBMQI-UHFFFAOYSA-N
Synonyms
3-METHYLOXATHIAZOLIDINE 2,2-DIOXIDE 3-Methyl-1,2,3-oxathiazolidine 2,2-dioxide MFCD22123263 SCHEMBL14118650 SY325454

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
3
Molar refractivity
27.5
TPSA
46.61

LogP / Solubility

WLOGP
-0.81
MLOGP
-0.72
XLogP3
-0.7
Consensus LogP
-0.74
Log S (ESOL)
-0.18
Class (ESOL)
Very soluble
Log S (Ali)
-0.1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.12
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-4.13

Drug-likeness / Medicinal Chemistry

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

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