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15089-43-7 | 2,2-Butanedithiol
CAS No: 15089-43-7 Catalog No: AG001MXX MDL No:
Product Description
Catalog Number:
AG001MXX
Chemical Name:
2,2-Butanedithiol
CAS Number:
15089-43-7
Molecular Formula:
C4H10S2
Molecular Weight:
122.2522
IUPAC Name:
butane-2,2-dithiol
InChI:
InChI=1S/C4H10S2/c1-3-4(2,5)6/h5-6H,3H2,1-2H3
InChI Key:
HLCGVCZVBXKAMT-UHFFFAOYSA-N
SMILES:
CCC(S)(S)C
Properties
Complexity:
40.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.022g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
122.244g/mol
Monoisotopic Mass:
122.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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