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14366-73-5 molecular structure
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1-chloro-4-[(2-chloroethyl)sulfanyl]benzene

ChemBase ID: 234164
Molecular Formular: C8H8Cl2S
Molecular Mass: 207.12012
Monoisotopic Mass: 205.97237662
SMILES and InChIs

SMILES:
c1(SCCCl)ccc(Cl)cc1
Canonical SMILES:
ClCCSc1ccc(cc1)Cl
InChI:
InChI=1S/C8H8Cl2S/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4H,5-6H2
InChIKey:
PVPKFKCDIRXVLO-UHFFFAOYSA-N

Cite this record

CBID:234164 http://www.chembase.cn/molecule-234164.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-chloro-4-[(2-chloroethyl)sulfanyl]benzene
IUPAC Traditional name
1-chloro-4-[(2-chloroethyl)sulfanyl]benzene
Synonyms
1-chloro-4-[(2-chloroethyl)thio]benzene
CAS Number
14366-73-5
MDL Number
MFCD00018965
PubChem SID
164290074
PubChem CID
84393

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-09143 external link Add to cart Please log in.
Data Source Data ID
PubChem 84393 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.610312  LogD (pH = 7.4) 3.610312 
Log P 3.610312  Molar Refractivity 53.1682 cm3
Polarizability 20.743116 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
30 - 32°C expand Show data source
Hydrophobicity(logP)
4.062 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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