Home Other Building Blocks 1-(TERT-BUTYLTHIO)PROPAN-2-ONE

1-(TERT-BUTYLTHIO)PROPAN-2-ONE

CAS No.:
85591-55-5
Catalog Number:
AG01AB25
Molecular Formula:
C7H14OS
Molecular Weight:
146.2505
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01AB25
Chemical Name:
1-(TERT-BUTYLTHIO)PROPAN-2-ONE
CAS Number:
85591-55-5
Molecular Formula:
C7H14OS
Molecular Weight:
146.2505
MDL Number:
MFCD12145874
IUPAC Name:
1-tert-butylsulfanylpropan-2-one
InChI:
InChI=1S/C7H14OS/c1-6(8)5-9-7(2,3)4/h5H2,1-4H3
InChI Key:
YGCXECLDZCQMNI-UHFFFAOYSA-N
SMILES:
CC(=O)CSC(C)(C)C
Properties
Complexity:
102  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.077g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.248g/mol
Monoisotopic Mass:
146.077g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties