Home Other Building Blocks 5-tert-butylthiolan-3-one

5-tert-butylthiolan-3-one

CAS No.:
75782-75-1
Catalog Number:
AG01BDSS
Molecular Formula:
C8H14OS
Molecular Weight:
158.2612
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Product Description
Catalog Number:
AG01BDSS
Chemical Name:
5-tert-butylthiolan-3-one
CAS Number:
75782-75-1
Molecular Formula:
C8H14OS
Molecular Weight:
158.2612
MDL Number:
MFCD24704089
IUPAC Name:
5-tert-butylthiolan-3-one
InChI:
InChI=1S/C8H14OS/c1-8(2,3)7-4-6(9)5-10-7/h7H,4-5H2,1-3H3
InChI Key:
CENNGEFXTBJXQA-UHFFFAOYSA-N
SMILES:
CC(C1SCC(=O)C1)(C)C
Properties
Complexity:
146  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.077g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.259g/mol
Monoisotopic Mass:
158.077g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties