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6633-90-5 | 1,4-Butanedithiol diacetate
CAS No: 6633-90-5 Catalog No: AG003DNA MDL No:
Product Description
Catalog Number:
AG003DNA
Chemical Name:
1,4-Butanedithiol diacetate
CAS Number:
6633-90-5
IUPAC Name:
acetic acid;butane-1,4-dithiol
InChI:
InChI=1S/C4H10S2.2C2H4O2/c5-3-1-2-4-6;2*1-2(3)4/h5-6H,1-4H2;2*1H3,(H,3,4)
InChI Key:
NDXBHUCBIVDCFM-UHFFFAOYSA-N
Properties
Complexity:
48.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.065g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
242.348g/mol
Monoisotopic Mass:
242.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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