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CAS 1003-85-6 5,6-Dihydro-5,5-dimethyl-4H-1,3,2-dioxathiin 2-oxide molecular structure lightbox
CAS RN: 1003-85-6

5,6-Dihydro-5,5-dimethyl-4H-1,3,2-dioxathiin 2-oxide

Product Availability

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250707 100g In stock Inquiry
Batchno.20260203 25g In stock Inquiry
Batchno.20250419 500g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251004 100g In stock Shenzhen, Tianjin Inquiry
Batchno.20260209 25g In stock Tianjin, Chengdu Inquiry
Batchno.20250614 5g In stock Shanghai, Tianjin, Chengdu Inquiry
  • Product code: SSC-000770
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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: 25g
  • 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 1003-85-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

1003-85-6 / 5,5-dimethyl-1,3,2-dioxathiane 2-oxide

1,3,2-DIOXATHIANE, 4,4-DIMETHYL-, 2-OXIDE | RefChem:1052470 | BRN 1237699

Standard CAS: 1003-85-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1003-85-6
Multi CAS
Yes
Molecular Formula
C5H10O3S
Molecular Weight
150.200000
Exact Mass
150.035065
SMILES
CC1(COS(=O)OC1)C
InChI
InChI=1S/C5H10O3S/c1-5(2)3-7-9(6)8-4-5/h3-4H2,1-2H3
InChIKey
MBWNQWVADQDHDU-UHFFFAOYSA-N
Synonyms
1,3,2-DIOXATHIANE, 4,4-DIMETHYL-, 2-OXIDE RefChem:1052470 BRN 1237699 2,2-Dimethyl-1,3-propanediol cyclic sulfite 1,3-Propanediol, 2,2-dimethyl-, cyclic sulfite

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
3
Molar refractivity
33.83
TPSA
35.53

LogP / Solubility

WLOGP
0.64
MLOGP
0.56
XLogP3
1.2
Consensus LogP
0.8
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.17
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)
-3.18

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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