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10185-62-3 molecular structure
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3-(5-methyl-1,2,4-oxadiazol-3-yl)benzene-1-sulfonyl chloride

ChemBase ID: 76863
Molecular Formular: C9H7ClN2O3S
Molecular Mass: 258.68148
Monoisotopic Mass: 257.98659077
SMILES and InChIs

SMILES:
n1c(c2cccc(c2)S(=O)(=O)Cl)nc(o1)C
Canonical SMILES:
Cc1onc(n1)c1cccc(c1)S(=O)(=O)Cl
InChI:
InChI=1S/C9H7ClN2O3S/c1-6-11-9(12-15-6)7-3-2-4-8(5-7)16(10,13)14/h2-5H,1H3
InChIKey:
YPMVPGZXUILSPT-UHFFFAOYSA-N

Cite this record

CBID:76863 http://www.chembase.cn/molecule-76863.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(5-methyl-1,2,4-oxadiazol-3-yl)benzene-1-sulfonyl chloride
IUPAC Traditional name
3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonyl chloride
Synonyms
3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonyl chloride
3-(5-Methyl-1,2,4-oxadiazol-3-yl)benzenesulphonyl chloride, tech
CAS Number
10185-62-3
MDL Number
MFCD06797486
PubChem SID
162041765
PubChem CID
18525745

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 18525745 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3324509  LogD (pH = 7.4) 2.3324509 
Log P 2.3324509  Molar Refractivity 70.7201 cm3
Polarizability 23.618244 Å3 Polar Surface Area 73.06 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
67-69°C expand Show data source
Storage Warning
Corrosive/Moisture Sensitive/Store under Argon expand Show data source
Purity
Tech expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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