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113680-31-2 | Furan, 3-(2-propen-1-ylthio)-
CAS No: 113680-31-2 Catalog No: AG0009A3 MDL No:
Product Description
Catalog Number:
AG0009A3
Chemical Name:
Furan, 3-(2-propen-1-ylthio)-
CAS Number:
113680-31-2
Molecular Formula:
C7H8OS
Molecular Weight:
140.2028
IUPAC Name:
3-prop-2-enylsulfanylfuran
InChI:
InChI=1S/C7H8OS/c1-2-5-9-7-3-4-8-6-7/h2-4,6H,1,5H2
InChI Key:
LRCPHYMXYWLVNW-UHFFFAOYSA-N
SMILES:
C=CCSc1cocc1
Properties
Complexity:
92.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.03g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.2g/mol
Monoisotopic Mass:
140.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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