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7023-83-8 | Acetic acid, bis(methylthio)-, ethyl ester
CAS No: 7023-83-8 Catalog No: AG005KGD MDL No:
Product Description
Catalog Number:
AG005KGD
Chemical Name:
Acetic acid, bis(methylthio)-, ethyl ester
CAS Number:
7023-83-8
Molecular Formula:
C6H12O2S2
Molecular Weight:
180.2883
IUPAC Name:
ethyl 2,2-bis(methylsulfanyl)acetate
InChI:
InChI=1S/C6H12O2S2/c1-4-8-5(7)6(9-2)10-3/h6H,4H2,1-3H3
InChI Key:
QHXKFJMNMUICNS-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(SC)SC
Properties
Complexity:
102
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.028g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.28g/mol
Monoisotopic Mass:
180.028g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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