Home Other Building Blocks (2,2-difluoroethyl)thiourea

(2,2-difluoroethyl)thiourea

CAS No.:
1274792-12-9
Catalog Number:
AG01BU6W
Molecular Formula:
C3H6F2N2S
Molecular Weight:
140.1549
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Product Description
Catalog Number:
AG01BU6W
Chemical Name:
(2,2-difluoroethyl)thiourea
CAS Number:
1274792-12-9
Molecular Formula:
C3H6F2N2S
Molecular Weight:
140.1549
MDL Number:
MFCD24201305
IUPAC Name:
2,2-difluoroethylthiourea
InChI:
InChI=1S/C3H6F2N2S/c4-2(5)1-7-3(6)8/h2H,1H2,(H3,6,7,8)
InChI Key:
AVBUIQHERMBOSR-UHFFFAOYSA-N
SMILES:
FC(CNC(=S)N)F
Properties
Complexity:
85.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.022g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
140.152g/mol
Monoisotopic Mass:
140.022g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties