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thiane-2-carboxamide

CAS No.:
18729-18-5
Catalog Number:
AG01A5R1
Molecular Formula:
C6H11NOS
Molecular Weight:
145.2226
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Product Description
Catalog Number:
AG01A5R1
Chemical Name:
thiane-2-carboxamide
CAS Number:
18729-18-5
Molecular Formula:
C6H11NOS
Molecular Weight:
145.2226
MDL Number:
MFCD19212314
IUPAC Name:
thiane-2-carboxamide
InChI:
InChI=1S/C6H11NOS/c7-6(8)5-3-1-2-4-9-5/h5H,1-4H2,(H2,7,8)
InChI Key:
SWNOTRQEQCOECX-UHFFFAOYSA-N
SMILES:
NC(=O)C1CCCCS1
Properties
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.056g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
145.22g/mol
Monoisotopic Mass:
145.056g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties