Home Other Building Blocks 2-((3,3,3-trifluoropropyl)thio)acetic acid

2-((3,3,3-trifluoropropyl)thio)acetic acid

CAS No.:
1160601-71-7
Catalog Number:
AG01DV0K
Molecular Formula:
C5H7F3O2S
Molecular Weight:
188.1681
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01DV0K
Chemical Name:
2-((3,3,3-trifluoropropyl)thio)acetic acid
CAS Number:
1160601-71-7
Molecular Formula:
C5H7F3O2S
Molecular Weight:
188.1681
MDL Number:
MFCD20359422
IUPAC Name:
2-(3,3,3-trifluoropropylsulfanyl)acetic acid
InChI:
InChI=1S/C5H7F3O2S/c6-5(7,8)1-2-11-3-4(9)10/h1-3H2,(H,9,10)
InChI Key:
CQMLMWKTDBCIEK-UHFFFAOYSA-N
SMILES:
OC(=O)CSCCC(F)(F)F
Properties
Complexity:
134  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.012g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.164g/mol
Monoisotopic Mass:
188.012g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties