Home Carboxys 3-methyl-8-thiabicyclo[3.2.1]octane-3-carboxylic acid

3-methyl-8-thiabicyclo[3.2.1]octane-3-carboxylic acid

CAS No.:
2138074-61-8
Catalog Number:
AG01EL1F
Molecular Formula:
C9H14O2S
Molecular Weight:
186.2713
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Product Description
Catalog Number:
AG01EL1F
Chemical Name:
3-methyl-8-thiabicyclo[3.2.1]octane-3-carboxylic acid
CAS Number:
2138074-61-8
Molecular Formula:
C9H14O2S
Molecular Weight:
186.2713
MDL Number:
MFCD31559284
IUPAC Name:
3-methyl-8-thiabicyclo[3.2.1]octane-3-carboxylic acid
InChI:
InChI=1S/C9H14O2S/c1-9(8(10)11)4-6-2-3-7(5-9)12-6/h6-7H,2-5H2,1H3,(H,10,11)
InChI Key:
URBMKHBXNCRSQO-UHFFFAOYSA-N
SMILES:
OC(=O)C1(C)CC2CCC(C1)S2
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.071g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.269g/mol
Monoisotopic Mass:
186.071g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties