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10193-95-0,MFCD00266655
Catalog No.:AA0005WK
10193-95-0 | Acetic acid, 2-mercapto-, 1,1'-(1,4-butanediyl) ester
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25g
>95.0%(GC)(T)
1 week  
$65.00   $45.00
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500g
>95.0%(GC)(T)
1 week  
$310.00   $217.00
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Technical Information
Catalog Number:
AA0005WK
Chemical Name:
Acetic acid, 2-mercapto-, 1,1'-(1,4-butanediyl) ester
CAS Number:
10193-95-0
Molecular Formula:
C8H14O4S2
Molecular Weight:
238.3244
MDL Number:
MFCD00266655
IUPAC Name:
4-(2-sulfanylacetyl)oxybutyl 2-sulfanylacetate
InChI:
InChI=1S/C8H14O4S2/c9-7(5-13)11-3-1-2-4-12-8(10)6-14/h13-14H,1-6H2
InChI Key:
IPNDIMIIGZSERC-UHFFFAOYSA-N
SMILES:
SCC(=O)OCCCCOC(=O)CS
EC Number:
233-479-1
Properties
Computed Properties
 
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.033g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
238.316g/mol
Monoisotopic Mass:
238.033g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

Synonyms
 
10193-95-0 
1,4-Butanediol Bis(thioglycolate) 
Butylene glycol, bis(mercaptoacetate) 
1,4-Butanediol, bis(mercaptoacetate) 
Mercaptoacetic acid, 1,4-butanediyl diester 
ACETIC ACID, MERCAPTO-, TETRAMETHYLENE ESTER 
Acetic acid, 2-mercapto-, 1,1'-(1,4-butanediyl) ester 
4-(2-sulfanylacetyl)oxybutyl 2-sulfanylacetate 
AC1L18BI 
SCHEMBL60931 
1,4-Bis(mercaptoacetoxy)butane 
DTXSID8064987 
1,4-Butanediol dithioglycolate 
1,4-ButanediolBis(thioglycolate) 
IPNDIMIIGZSERC-UHFFFAOYSA-N 
KS-000012ZS 
ZINC4558435 
MFCD00266655 
AKOS024332116 
MCULE-8105690240 
LS-12369 
4-[(2-SULFANYLACETYL)OXY]BUTYL 2-SULFANYLACETATE 
MERCAPTO-ACETIC ACID 4-MERCAPTOACETOXY-BUTYL ESTER 
Butane-1,4-diyl bis(2-mercaptoacetate) 
C8H14O4S2 
CID25040 
C8-H14-O4-S2 
B3423 
1,4-Butanediyl bis(mercaptoacetate) 
Tetramethylene mercaptoacetate 
Acetic acid, mercapto-, 1,4-butanediyl ester 
Tetramethylene bis(thioglycolate) 
Tetramethylene bis(mercaptoacetate) 
EINECS 233-479-1 
Literature
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