[email protected]
CAS 98041-69-1 4-BROMO-2-CHLOROPHENYL ISOTHIOCYANATE molecular structure lightbox
CAS RN: 98041-69-1

4-BROMO-2-CHLOROPHENYL ISOTHIOCYANATE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260110 100mg / 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-212520
GET A QUOTE
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: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 98041-69-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

98041-69-1 / 1-bromo-2-chloro-4-isothiocyanatobenzene

Standard CAS: 98041-69-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
98041-69-1
Multi CAS
Yes
Molecular Formula
C7H3BRCLNS
Molecular Weight
248.530000
Exact Mass
246.885810
InChI
InChI=1S/C7H3BrClNS/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H
InChIKey
GVTFIGQDTWPFTA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
53.84
TPSA
12.36

LogP / Solubility

WLOGP
3.84
MLOGP
3.38
XLogP3
4.6
Consensus LogP
3.94
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.51

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us