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61551-49-3 molecular structure
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5,6,7,8-tetrahydronaphthalene-2-sulfonyl chloride

ChemBase ID: 25223
Molecular Formular: C10H11ClO2S
Molecular Mass: 230.71114
Monoisotopic Mass: 230.01682827
SMILES and InChIs

SMILES:
S(=O)(=O)(c1cc2c(cc1)CCCC2)Cl
Canonical SMILES:
ClS(=O)(=O)c1ccc2c(c1)CCCC2
InChI:
InChI=1S/C10H11ClO2S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2
InChIKey:
FNEIMPFRVQQOMV-UHFFFAOYSA-N

Cite this record

CBID:25223 http://www.chembase.cn/molecule-25223.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5,6,7,8-tetrahydronaphthalene-2-sulfonyl chloride
IUPAC Traditional name
5,6,7,8-tetrahydronaphthalene-2-sulfonyl chloride
Synonyms
5,6,7,8-Tetrahydronaphthalene-2-sulfonyl chloride
5,6,7,8-Tetrahydro-naphthalene-2-sulfonyl chloride
CAS Number
61551-49-3
MDL Number
MFCD06655218
PubChem SID
160988530
PubChem CID
4868371

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.371803  LogD (pH = 7.4) 3.371803 
Log P 3.371803  Molar Refractivity 57.7344 cm3
Polarizability 22.85681 Å3 Polar Surface Area 34.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
49 - 51°C expand Show data source
Partition Coefficient
3.143 expand Show data source
Hydrophobicity(logP)
1.742 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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