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122913-78-4 | 2-Butene-1,4-dithiol, (2E)-
CAS No: 122913-78-4 Catalog No: AG000JRS MDL No:
Product Description
Catalog Number:
AG000JRS
Chemical Name:
2-Butene-1,4-dithiol, (2E)-
CAS Number:
122913-78-4
Molecular Formula:
C4H8S2
Molecular Weight:
120.2363
IUPAC Name:
but-2-ene-1,4-dithiol
InChI:
InChI=1S/C4H8S2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2
InChI Key:
FVXAIIVXIJVXRH-UHFFFAOYSA-N
SMILES:
SC/C=C/CS
Properties
Complexity:
34.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.007g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
120.228g/mol
Monoisotopic Mass:
120.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.1
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