Home Other Building Blocks 1,1-dioxo-1lambda6-thiolane-3-carbothioamide

1,1-dioxo-1lambda6-thiolane-3-carbothioamide

CAS No.:
1184604-39-4
Catalog Number:
AG01BTFL
Molecular Formula:
C5H9NO2S2
Molecular Weight:
179.2605
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Product Description
Catalog Number:
AG01BTFL
Chemical Name:
1,1-dioxo-1lambda6-thiolane-3-carbothioamide
CAS Number:
1184604-39-4
Molecular Formula:
C5H9NO2S2
Molecular Weight:
179.2605
MDL Number:
MFCD12824866
IUPAC Name:
1,1-dioxothiolane-3-carbothioamide
InChI:
InChI=1S/C5H9NO2S2/c6-5(9)4-1-2-10(7,8)3-4/h4H,1-3H2,(H2,6,9)
InChI Key:
FZBZEMBZFXEKRN-UHFFFAOYSA-N
SMILES:
NC(=S)C1CCS(=O)(=O)C1
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.007g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.252g/mol
Monoisotopic Mass:
179.007g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties