[email protected]
CAS 108158-00-5 5-bromothiophene-2-sulfonyl fluoride molecular structure lightbox
CAS RN: 108158-00-5

5-bromothiophene-2-sulfonyl fluoride

Product Availability

Choose a grade to view its available package options.

2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260411 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20260505 250mg Out of stock Inquiry
  • Product code: starshine_CAS108158-00-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

108158-00-5 / 5-bromothiophene-2-sulfonyl fluoride

5-bromothiophene-2-sulfonyl fluoride | RefChem:534137 | 808-332-5

Standard CAS: 108158-00-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
108158-00-5
Multi CAS
No
Molecular Formula
C4H2BrFO2S2
Molecular Weight
245.100000
Exact Mass
243.866360
SMILES
C1=C(SC(=C1)Br)S(=O)(=O)F
InChI
InChI=1S/C4H2BrFO2S2/c5-3-1-2-4(9-3)10(6,7)8/h1-2H
InChIKey
YZLKSNCDWSSCNL-UHFFFAOYSA-N
Synonyms
5-bromothiophene-2-sulfonyl fluoride RefChem:534137 808-332-5 MFCD21894405 C4H2BrFO2S2

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
40.31
TPSA
34.14

LogP / Solubility

WLOGP
2.17
MLOGP
1.91
XLogP3
2.7
Consensus LogP
2.26
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.17
Class (SILICOS-IT)
Poorly 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)
-2.68

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (97.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us