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161994-06-5 | Propanedithiol (9CI)
CAS No: 161994-06-5 Catalog No: AG001SLD MDL No:
Product Description
Catalog Number:
AG001SLD
Chemical Name:
Propanedithiol (9CI)
CAS Number:
161994-06-5
Molecular Formula:
C3H8S2
Molecular Weight:
108.2256
IUPAC Name:
propane-1,1-dithiol
InChI:
InChI=1S/C3H8S2/c1-2-3(4)5/h3-5H,2H2,1H3
InChI Key:
NCNISYUOWMIOPI-UHFFFAOYSA-N
SMILES:
CCC(S)S
FEMA Number:
4670
Properties
Complexity:
18.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.007g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
108.217g/mol
Monoisotopic Mass:
108.007g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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