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132392-26-8 molecular structure
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5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene-2-sulfonyl chloride

ChemBase ID: 101148
Molecular Formular: C14H19ClO2S
Molecular Mass: 286.81746
Monoisotopic Mass: 286.07942853
SMILES and InChIs

SMILES:
S(=O)(=O)(c1cc2c(C(CCC2(C)C)(C)C)cc1)Cl
Canonical SMILES:
CC1(C)CCC(c2c1cc(cc2)S(=O)(=O)Cl)(C)C
InChI:
InChI=1S/C14H19ClO2S/c1-13(2)7-8-14(3,4)12-9-10(18(15,16)17)5-6-11(12)13/h5-6,9H,7-8H2,1-4H3
InChIKey:
BEAYCJSJSMOLFG-UHFFFAOYSA-N

Cite this record

CBID:101148 http://www.chembase.cn/molecule-101148.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene-2-sulfonyl chloride
IUPAC Traditional name
5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-sulfonyl chloride
Synonyms
5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenesulfonyl chloride
CAS Number
132392-26-8
MDL Number
MFCD04115384
PubChem SID
162087890
PubChem CID
2795467

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Maybridge
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Data Source Data ID
PubChem 2795467 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.5459356  LogD (pH = 7.4) 4.5459356 
Log P 4.5459356  Molar Refractivity 75.7818 cm3
Polarizability 30.192846 Å3 Polar Surface Area 34.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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