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101079-86-1,MFCD03789204
Catalog No.:AA0003KZ
101079-86-1 | Ethanol, 2-[(3,5-dichlorophenyl)thio]-
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Technical Information
Catalog Number:
AA0003KZ
Chemical Name:
Ethanol, 2-[(3,5-dichlorophenyl)thio]-
CAS Number:
101079-86-1
Molecular Formula:
C8H8Cl2OS
Molecular Weight:
223.1195
MDL Number:
MFCD03789204
IUPAC Name:
2-(3,5-dichlorophenyl)sulfanylethanol
InChI:
InChI=1S/C8H8Cl2OS/c9-6-3-7(10)5-8(4-6)12-2-1-11/h3-5,11H,1-2H2
InChI Key:
UVVZHCXFLPWEMD-UHFFFAOYSA-N
SMILES:
OCCSc1cc(Cl)cc(c1)Cl
Properties
Computed Properties
 
Complexity:
124  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.967g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.111g/mol
Monoisotopic Mass:
221.967g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

Synonyms
 
101079-86-1 
3,5-Dichlorophenyl thioethanol 
ZINC2511121 
AKOS015962302 
MCULE-1245615478 
RP27450 
VZ34905 
2-(3,5-dichlorophenylthio)ethan-1-ol 
AC-16472 
AJ-36545 
AN-34187 
Ethanol, 2-[(3,5-dichlorophenyl)thio]- 
2-((3,5-Dichlorophenyl)thio)ethanol 
3,5-dichlorophenyl thioethanol, AldrichCPR 
RT-019294 
2-[3,5-bis(chloranyl)phenyl]sulfanylethanol 
FT-0703999 
ST51042021 
2-[(3,5-dichlorophenyl)sulfanyl]ethan-1-ol 
A800326 
J-511304 
ZINC02511121 
CID2758206 
3,5-Dichlorophenylthioethanol 
Ethanol,2-[(3,5-dichlorophenyl)thio]- 
2-(3,5-dichlorophenyl)sulfanylethanol 
2-[(3,5-dichlorophenyl)thio]ethanol 
AC1MBXMU 
PubChem10850 
DTXSID30374221 
2-(3,5-dichlorophenylthio)ethanol 
Literature
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