CAS RN: 1211516-26-5
4-(Pentafluorosulfur)benzenesulfonyl chloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260104 | 50mg | Out of stock | Inquiry |
- Product code: starshine_CAS1211516-26-5
- Purity/Analytical Methods: >99.0%
1211516-26-5 / 4-(pentafluoro-lambda6-sulfanyl)benzenesulfonyl chloride
4-(Pentafluorosulfur)benzenesulfonyl chloride | RefChem:516594 | 857-428-3
Basic Information
CAS
1211516-26-5
Multi CAS
No
Molecular Formula
C6H4ClF5O2S2
Molecular Weight
302.700000
Exact Mass
301.926140
SMILES
C1=CC(=CC=C1S(=O)(=O)Cl)S(F)(F)(F)(F)F
InChI
InChI=1S/C6H4ClF5O2S2/c7-15(13,14)5-1-3-6(4-2-5)16(8,9,10,11)12/h1-4H
InChIKey
LQEOIYDDOVVHIF-UHFFFAOYSA-N
Synonyms
4-(Pentafluorosulfur)benzenesulfonyl chloride
RefChem:516594
857-428-3
MFCD16652450
4-(pentafluoro-lambda6-sulfanyl)benzene-1-sulfonyl chloride
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
50.88
TPSA
34.14
LogP / Solubility
WLOGP
4.27
MLOGP
3.77
XLogP3
5.2
Consensus LogP
4.41
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501
Customers Also Viewed
-
6-Methoxy-5-nitro-3-pyridinecarboxylic acid
- CAS RN: 1211516-51-6
- Product Code: SSC-022547
-
-
(3-chloro-4-fluorophenyl)methanesulfonyl chloride
- CAS RN: 1211516-98-1
- Product Code: SSC-022551
-
-
3-(Trifluoromethl)-1H-pyrazolo[4,3-b]pyridine
- CAS RN: 1211517-40-6
- Product Code: starshine_CAS1211517-40-6
- Purity/Analytical method: >99.0%
-
1-Propanamine, 3,3,3-trifluoro-2,2-dimethyl-
- CAS RN: 1211517-48-4
- Product Code: SSC-022554
![CAS 1211517-23-5 2-Cbz-2,6-diazaspiro[3.3]heptane oxalate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1211517-23-5.gif)
![CAS 1211517-40-6 3-(Trifluoromethl)-1H-pyrazolo[4,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1211517-40-6.gif)
