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thiepan-4-one

CAS No.:
22072-22-6
Catalog Number:
AG01B2GM
Molecular Formula:
C6H10OS
Molecular Weight:
130.2080
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Product Description
Catalog Number:
AG01B2GM
Chemical Name:
thiepan-4-one
CAS Number:
22072-22-6
Molecular Formula:
C6H10OS
Molecular Weight:
130.2080
MDL Number:
MFCD24688152
IUPAC Name:
thiepan-4-one
InChI:
InChI=1S/C6H10OS/c7-6-2-1-4-8-5-3-6/h1-5H2
InChI Key:
FQCDOWQBRJYXCP-UHFFFAOYSA-N
SMILES:
O=C1CCSCCC1
Properties
Complexity:
90.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.045g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.205g/mol
Monoisotopic Mass:
130.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties