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

1,1-dioxo-1lambda6-thiolane-3-carbohydrazide

CAS No.:
17236-18-9
Catalog Number:
AG019OMW
Molecular Formula:
C5H10N2O3S
Molecular Weight:
178.2095
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Product Description
Catalog Number:
AG019OMW
Chemical Name:
1,1-dioxo-1lambda6-thiolane-3-carbohydrazide
CAS Number:
17236-18-9
Molecular Formula:
C5H10N2O3S
Molecular Weight:
178.2095
MDL Number:
MFCD07344331
IUPAC Name:
1,1-dioxothiolane-3-carbohydrazide
InChI:
InChI=1S/C5H10N2O3S/c6-7-5(8)4-1-2-11(9,10)3-4/h4H,1-3,6H2,(H,7,8)
InChI Key:
YHRCALKARIMHPT-UHFFFAOYSA-N
SMILES:
NNC(=O)C1CCS(=O)(=O)C1
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.041g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
178.206g/mol
Monoisotopic Mass:
178.041g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties