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CAS 1002-40-0 1,2-bis(2-bromoethyl)disulfane molecular structure lightbox
CAS RN: 1002-40-0

1,2-bis(2-bromoethyl)disulfane

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260523 1g Out of stock 15 business days Inquiry
  • Product code: SSC-000622
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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 1002-40-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1002-40-0 / 1-bromo-2-(2-bromoethyldisulfanyl)ethane

Disulfide, bis(2-bromoethyl) | DTXSID90341318 | RefChem:339217

Standard CAS: 1002-40-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1002-40-0
Multi CAS
No
Molecular Formula
C4H8Br2S2
Molecular Weight
280.000000
Exact Mass
279.841370
SMILES
C(CBr)SSCCBr
InChI
InChI=1S/C4H8Br2S2/c5-1-3-7-8-4-2-6/h1-4H2
InChIKey
PQCWLWJBICEQQF-UHFFFAOYSA-N
Synonyms
Disulfide, bis(2-bromoethyl) DTXSID90341318 RefChem:339217 DTXCID70292399 PQCWLWJBICEQQF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
52.5
TPSA
50.6000

LogP / Solubility

WLOGP
3.16
MLOGP
2.79
XLogP3
2.4
Consensus LogP
2.78
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.7
Class (SILICOS-IT)
Slightly 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)
-2.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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