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10075-78-2,MFCD06656542
Catalog No.:AA0002PE
10075-78-2 | Naphthalene, 2,7-bis(methylthio)-
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100mg
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2 weeks  
$288.00   $202.00
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Technical Information
Catalog Number:
AA0002PE
Chemical Name:
Naphthalene, 2,7-bis(methylthio)-
CAS Number:
10075-78-2
Molecular Formula:
C12H12S2
Molecular Weight:
220.3537
MDL Number:
MFCD06656542
IUPAC Name:
2,7-bis(methylsulfanyl)naphthalene
InChI:
InChI=1S/C12H12S2/c1-13-11-5-3-9-4-6-12(14-2)8-10(9)7-11/h3-8H,1-2H3
InChI Key:
SHZPAHLHBNVKJI-UHFFFAOYSA-N
SMILES:
CSc1ccc2c(c1)cc(cc2)SC
Properties
Computed Properties
 
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.038g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.348g/mol
Monoisotopic Mass:
220.038g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  

Synonyms
 
2,7-Bis-(methylthio)naphthalene 
10075-78-2 
TR-000249 
FT-0677513 
Y-9602 
I14-39346 
C12H12S2 
Naphthalene,2,7-bis(methylthio)- 
2,7-bis(methylsulfanyl)naphthalene 
2,7-Bis(methylthio)naphthalene 
CTK3J9236 
DTXSID30649845 
7265AC 
ZINC14628775 
AKOS015852529 
Literature
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