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1964-45-0,MFCD00052744
Catalog No.:AA003IM0
1964-45-0 | 3,5-Dimethylthianaphthene
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$193.00   $135.00
- +
5g
97%
in stock  
$810.00   $567.00
- +
  • Technical Information
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IM0
Chemical Name:
3,5-Dimethylthianaphthene
CAS Number:
1964-45-0
Molecular Formula:
C10H10S
Molecular Weight:
162.2514
MDL Number:
MFCD00052744
IUPAC Name:
3,5-dimethyl-1-benzothiophene
InChI:
InChI=1S/C10H10S/c1-7-3-4-10-9(5-7)8(2)6-11-10/h3-6H,1-2H3
InChI Key:
UQJSHXYNNVEGMQ-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(C)cs2
Properties
Computed Properties
 
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.05g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.25g/mol
Monoisotopic Mass:
162.05g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  

Synonyms
 
3,5-Dimethylbenzo[b]thiophene 
1964-45-0 
UQJSHXYNNVEGMQ-UHFFFAOYSA-N 
Benzo[b]thiophene, 3,5-dimethyl- 
3,5-dimethylbenzo[b]thiophene,97% 
MFCD00052744 
3,5-Dimethyl benzothiophene 
W-200198 
C10H10S 
3,5-dimethylthianaph 
PubChem15354 
AC1MCWJ7 
3,5-Dimethylbenzo(b)thiophene 
3,5-Dimethyl thianaphthene 
SCHEMBL423281 
CTK3J1461 
DTXSID10173310 
KS-00002AW7 
ZINC2510249 
ZX-AT001715 
FCH917404 
AKOS005199260 
MCULE-3819635764 
3,5-dimethyl-1-benzothiophene 
OR26024 
PS-8752 
QC-7336 
TRA0050287 
AJ-36421 
AK112393 
AN-50199 
AB0076246 
AX8082889 
DB-065906 
3,5-dimethyl-benzo[b]thiophene 
RT-004946 
FT-0614689 
ST50407188 
Z5484 
I09-1423 
3,5-dimethyl-1-benzothiophene, 3,5-dimethylthianaphthene 
C10-H10-S 
ZINC02510249 
CID2779875 
A4300 
3,5-dimethylbenzothiophene 
3,5-dimethylthianapthene 
3,5-dimethylthianaphthene 
Benzo(b)thiophene, 3,5-dimethyl- 
3,5-Dimethyl benzo[b]thiophene 
Literature
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