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CAS 33951-33-6 1-BROMO-2-(METHYLSULFONYL)BENZENE molecular structure lightbox
CAS RN: 33951-33-6

1-BROMO-2-(METHYLSULFONYL)BENZENE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251229 10g In stock Inquiry
Batchno.20260615 1g In stock Inquiry
Batchno.20260521 5g In stock Inquiry
  • Product code: SSC-140158
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 10g, 5g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 33951-33-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shanghai Inquiry
10g >97% 5 In Stock Shenzhen Inquiry
5g >97% 4 In Stock Shenzhen Inquiry
25g >97% 0 Out of Stock Beijing Inquiry
100g >97% 0 Out of Stock Shenzhen Inquiry

33951-33-6 / 1-bromo-2-methylsulfonylbenzene

Standard CAS: 33951-33-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
33951-33-6
Multi CAS
Yes
Molecular Formula
C7H7BRO2S
Molecular Weight
235.100000
Exact Mass
233.935010
InChI
InChI=1S/C7H7BrO2S/c1-11(9,10)7-5-3-2-4-6(7)8/h2-5H,1H3
InChIKey
KEBPSJRKAZKUKP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
47.25
TPSA
34.14

LogP / Solubility

WLOGP
1.85
MLOGP
1.63
XLogP3
1.9
Consensus LogP
1.79
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
Class (SILICOS-IT)
Moderately 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)
-2.84

Drug-likeness / Medicinal Chemistry

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

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