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oxane-3-carbothioamide

CAS No.:
1339699-06-7
Catalog Number:
AG01A144
Molecular Formula:
C6H11NOS
Molecular Weight:
145.2226
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Product Description
Catalog Number:
AG01A144
Chemical Name:
oxane-3-carbothioamide
CAS Number:
1339699-06-7
Molecular Formula:
C6H11NOS
Molecular Weight:
145.2226
MDL Number:
MFCD18877166
IUPAC Name:
oxane-3-carbothioamide
InChI:
InChI=1S/C6H11NOS/c7-6(9)5-2-1-3-8-4-5/h5H,1-4H2,(H2,7,9)
InChI Key:
JBSKGZNFFRJFSB-UHFFFAOYSA-N
SMILES:
NC(=S)C1CCCOC1
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:
67.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties