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82235-10-7 | 2H-Thiopyran, 4-(2,4-cyclopentadien-1-ylidene)tetrahydro-
CAS No: 82235-10-7 Catalog No: AG0050CR MDL No:
Product Description
Catalog Number:
AG0050CR
Chemical Name:
2H-Thiopyran, 4-(2,4-cyclopentadien-1-ylidene)tetrahydro-
CAS Number:
82235-10-7
Molecular Formula:
C10H12S
Molecular Weight:
164.2673
IUPAC Name:
4-cyclopenta-2,4-dien-1-ylidenethiane
InChI:
InChI=1S/C10H12S/c1-2-4-9(3-1)10-5-7-11-8-6-10/h1-4H,5-8H2
InChI Key:
KWWZNPXPEPYKML-UHFFFAOYSA-N
SMILES:
S1CCC(=C2C=CC=C2)CC1
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.066g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.266g/mol
Monoisotopic Mass:
164.066g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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