Home Other Building Blocks 2-[(2,2,2-trifluoroethyl)sulfanyl]ethan-1-ol

2-[(2,2,2-trifluoroethyl)sulfanyl]ethan-1-ol

CAS No.:
5187-61-1
Catalog Number:
AG01EM9Q
Molecular Formula:
C4H7F3OS
Molecular Weight:
160.1580
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Product Description
Catalog Number:
AG01EM9Q
Chemical Name:
2-[(2,2,2-trifluoroethyl)sulfanyl]ethan-1-ol
CAS Number:
5187-61-1
Molecular Formula:
C4H7F3OS
Molecular Weight:
160.1580
MDL Number:
MFCD12185688
IUPAC Name:
2-(2,2,2-trifluoroethylsulfanyl)ethanol
InChI:
InChI=1S/C4H7F3OS/c5-4(6,7)3-9-2-1-8/h8H,1-3H2
InChI Key:
YIUJIEYRSACWDN-UHFFFAOYSA-N
SMILES:
OCCSCC(F)(F)F
Properties
Complexity:
72.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.017g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
160.154g/mol
Monoisotopic Mass:
160.017g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties