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Molecule
ID:19227
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₅H₁₀ClNO₂S
Molecular Mass
183.6564
Exact Mass
183.01207725
Charge
0
InChI
InChI=1S/C5H10ClNO2S/c6-10(8,9)7-4-2-1-3-5-7/h1-5H2
InChIKey
QQJYAXDCMMXECR-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)N1CCCCC1
Isomeric Smiles
S(=O)(=O)(N1CCCCC1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.6466866
LogD (pH = 7.4)
0.6466866
Log P
0.6466866
Molar Refractivity
40.8133
Polarizability
16.548586
Polar Surface Area
37.38
Rotatable Bonds
0
Lipinski's Rule of Five
true
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
暂无数据
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References
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Bioactivity
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General Information
Calculated Properties
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RDKit
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JChem
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IUPAC Traditional name
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IUPAC name
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MDL Number
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CAS Number
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PubChem SID
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PubChem CID
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Product Information
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Physical Property
Related Proteins
Molecular Spectra
Molecule Details
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
ChemBridge
4014373
Enamine
EN300-28609
Matrix Scientific
021510
Bide Pharmatech
BD148220
Alfa Aesar
H54053
A&J Pharmtech
AJA-O13110
Academic Data
PubChem
11298344
Names and Identifiers
IUPAC Traditional name
piperidine-1-sulfonyl chloride
IUPAC name
piperidine-1-sulfonyl chloride
Synonyms
Piperidine-1-sulfonyl chloride
Piperidine-1-sulfonyl chloride
哌啶-1-磺酰氯
Registration numbers
MDL Number
MFCD03250329
CAS Number
35856-62-3
PubChem SID
160982534
PubChem CID
11298344
Properties
Safety Information
Storage Warning
IRRITANT
Source
Moisture Sensitive
Source
MSDS Link
Download link
Source
TSCA Listed
false
Source
否
Source
GHS Hazard statements
H314
-
H318
Source
European Hazard Symbols
Corrosive (C)
Source
Safety Statements
20
-
23
-
26
-
36/37/39
-
45
-
60
Source
GHS Precautionary statements
P260
-
P303+P361+P353
-
P305+P351+P338
-
P301+P330+P331
-
P405
-P501A
Source
Hazard Class
8
Source
GHS Pictograms
Corrosive to metals, category 1
Skin corrosion, categories 1A,1B,1C
Serious eye damage, category 1
Source
UN Number
UN3265
Source
Risk Statements
34
Source
Packing Group
II
Source
Product Information
Purity
95%
Source
97%
Source
Physical Property
Hydrophobicity(logP)
0.96
Source
Density
1.308
Source
Refractive Index
1.4920
Source
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay