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115321-79-4 | Disulfide, butyl 1-propenyl
CAS No: 115321-79-4 Catalog No: AG000GLM MDL No:
Product Description
Catalog Number:
AG000GLM
Chemical Name:
Disulfide, butyl 1-propenyl
CAS Number:
115321-79-4
Molecular Formula:
C7H14S2
Molecular Weight:
162.3161
IUPAC Name:
1-(prop-1-enyldisulfanyl)butane
InChI:
InChI=1S/C7H14S2/c1-3-5-7-9-8-6-4-2/h4,6H,3,5,7H2,1-2H3
InChI Key:
RFCWNKCKDLBCLT-UHFFFAOYSA-N
SMILES:
CCCCSSC=CC
Properties
Complexity:
69.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.054g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.309g/mol
Monoisotopic Mass:
162.054g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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