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93394-42-4

93394-42-4 | 2-Thiabicyclo[3.2.0]heptan-4-one, 3,3,7,7-tetramethyl-

CAS No: 93394-42-4 Catalog No: AG006G1F MDL No:

Product Description

Catalog Number:
AG006G1F
Chemical Name:
2-Thiabicyclo[3.2.0]heptan-4-one, 3,3,7,7-tetramethyl-
CAS Number:
93394-42-4
Molecular Formula:
C10H16OS
Molecular Weight:
184.2984
IUPAC Name:
3,3,7,7-tetramethyl-2-thiabicyclo[3.2.0]heptan-4-one
InChI:
InChI=1S/C10H16OS/c1-9(2)5-6-7(11)10(3,4)12-8(6)9/h6,8H,5H2,1-4H3
InChI Key:
BRFXAZNNKSOBQU-UHFFFAOYSA-N
SMILES:
O=C1C2CC(C2SC1(C)C)(C)C

Properties

Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.092g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.297g/mol
Monoisotopic Mass:
184.092g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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