CAS 83-31-8 1,8-Naphthosultone molecular structure

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CAS RN: 83-31-8

1,8-Naphthosultone

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1 package records1 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20250516	1g / 5g / 25g / 100g	Confirm by inquiry	Shanghai, Shandong	Inquiry

Product code: SSC-190976

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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: 5g
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 83-31-8
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
5g	≥95%	0 Out of Stock	Shanghai	Inquiry

83-31-8 / 2-oxa-3lambda6-thiatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 3,3-dioxide

Standard CAS: 83-31-8 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

83-31-8

Multi CAS

Yes

Molecular Formula

C10H6O3S

Molecular Weight

206.220000

Exact Mass

206.003765

InChI

InChI=1S/C10H6O3S/c11-14(12)9-6-2-4-7-3-1-5-8(13-14)10(7)9/h1-6H

InChIKey

IEIADDVJUYQKAZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

H-bond acceptors

Molar refractivity

51.76

TPSA

43.37

LogP / Solubility

WLOGP

1.92

MLOGP

1.69

XLogP3

2.3

Consensus LogP

1.97

Log S (ESOL)

-2.86

Class (ESOL)

Moderately soluble

Log S (Ali)

-2.64

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-2.59

Class (SILICOS-IT)

Moderately soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.61

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

1.5

1,8-Naphthosultone

Product Availability

Historical Supply Reference

Reference Pack Sizes

83-31-8 / 2-oxa-3lambda6-thiatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 3,3-dioxide

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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