Home Other Building Blocks 3,3,3-trifluoro-2-hydroxy-2-methylpropanethioamide

3,3,3-trifluoro-2-hydroxy-2-methylpropanethioamide

CAS No.:
422-25-3
Catalog Number:
AG01B25W
Molecular Formula:
C4H6F3NOS
Molecular Weight:
173.1567
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Product Description
Catalog Number:
AG01B25W
Chemical Name:
3,3,3-trifluoro-2-hydroxy-2-methylpropanethioamide
CAS Number:
422-25-3
Molecular Formula:
C4H6F3NOS
Molecular Weight:
173.1567
MDL Number:
MFCD20708677
IUPAC Name:
3,3,3-trifluoro-2-hydroxy-2-methylpropanethioamide
InChI:
InChI=1S/C4H6F3NOS/c1-3(9,2(8)10)4(5,6)7/h9H,1H3,(H2,8,10)
InChI Key:
ZBNQSHXCMRBTRY-UHFFFAOYSA-N
SMILES:
NC(=S)C(C(F)(F)F)(O)C
Properties
Complexity:
157  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.012g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
173.153g/mol
Monoisotopic Mass:
173.012g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties