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88041-83-2 molecular structure
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5-tert-butyl-2-methoxybenzene-1-sulfonyl chloride

ChemBase ID: 19216
Molecular Formular: C11H15ClO3S
Molecular Mass: 262.753
Monoisotopic Mass: 262.04304302
SMILES and InChIs

SMILES:
S(=O)(=O)(c1cc(C(C)(C)C)ccc1OC)Cl
Canonical SMILES:
COc1ccc(cc1S(=O)(=O)Cl)C(C)(C)C
InChI:
InChI=1S/C11H15ClO3S/c1-11(2,3)8-5-6-9(15-4)10(7-8)16(12,13)14/h5-7H,1-4H3
InChIKey:
MMKJABSTFRSIQT-UHFFFAOYSA-N

Cite this record

CBID:19216 http://www.chembase.cn/molecule-19216.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-tert-butyl-2-methoxybenzene-1-sulfonyl chloride
IUPAC Traditional name
5-tert-butyl-2-methoxybenzenesulfonyl chloride
Synonyms
5-tert-butyl-2-methoxybenzenesulfonyl chloride
5-tert-Butyl-2-methoxy-benzenesulfonyl chloride
CAS Number
88041-83-2
MDL Number
MFCD08457535
PubChem SID
160982523
PubChem CID
13210231

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 13210231 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.3069339  LogD (pH = 7.4) 3.3069339 
Log P 3.3069339  Molar Refractivity 65.3813 cm3
Polarizability 26.192568 Å3 Polar Surface Area 43.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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