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101033-03-8,MFCD06254774
Catalog No.:AA0003IG
101033-03-8 | 4-(1,3-Dithiolan-2-yl)benzoic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$255.00   $179.00
- +
1g
95%
in stock  
$471.00   $330.00
- +
5g
95%
in stock  
$1,281.00   $897.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA0003IG
Chemical Name:
4-(1,3-Dithiolan-2-yl)benzoic acid
CAS Number:
101033-03-8
Molecular Formula:
C10H10O2S2
Molecular Weight:
226.3152
MDL Number:
MFCD06254774
IUPAC Name:
4-(1,3-dithiolan-2-yl)benzoic acid
InChI:
InChI=1S/C10H10O2S2/c11-9(12)7-1-3-8(4-2-7)10-13-5-6-14-10/h1-4,10H,5-6H2,(H,11,12)
InChI Key:
TUFUEXHGSDXLLE-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)C1SCCS1
Properties
Computed Properties
 
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.012g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.308g/mol
Monoisotopic Mass:
226.012g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
4-(1,3-dithiolan-2-yl)benzoic acid 
101033-03-8 
MCULE-9513855905 
NE13140 
4-([1,3]dithiolan-2-yl)-benzoic acid 
Benzoic acid, 4-(1,3-dithiolan-2-yl)- 
RT-009063 
EN300-12143 
AB00730922-01 
SR-01000063860 
SR-01000063860-1 
Z57983013 
Benzoicacid, 4-(1,3-dithiolan-2-yl)- 
CID2474270 
ACMC-20e4my 
AC1M7TNP 
AC1Q735J 
CTK0I3945 
DTXSID30368781 
ZINC3356970 
AKOS002664464 
Literature
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