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10193-95-0

10193-95-0 | Acetic acid, 2-mercapto-, 1,1'-(1,4-butanediyl) ester

CAS No: 10193-95-0 Catalog No: AG0005ZC MDL No:MFCD00266655

Product Description

Catalog Number:
AG0005ZC
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

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  

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