Home Other Building Blocks (2,2,2-trifluoroethoxy)carbothioamide

(2,2,2-trifluoroethoxy)carbothioamide

CAS No.:
1909347-82-5
Catalog Number:
AG01AUQV
Molecular Formula:
C3H4F3NOS
Molecular Weight:
159.1302
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Product Description
Catalog Number:
AG01AUQV
Chemical Name:
(2,2,2-trifluoroethoxy)carbothioamide
CAS Number:
1909347-82-5
Molecular Formula:
C3H4F3NOS
Molecular Weight:
159.1302
MDL Number:
MFCD29047222
IUPAC Name:
O-(2,2,2-trifluoroethyl) carbamothioate
InChI:
InChI=1S/C3H4F3NOS/c4-3(5,6)1-8-2(7)9/h1H2,(H2,7,9)
InChI Key:
HJOXTYQZLLNVIC-UHFFFAOYSA-N
SMILES:
NC(=S)OCC(F)(F)F
Properties
Complexity:
112  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.997g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
159.126g/mol
Monoisotopic Mass:
158.997g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties