Home Other Building Blocks hexahydro-1H-pyrrolo[2,1-c]morpholine-3-carbothioamide

hexahydro-1H-pyrrolo[2,1-c]morpholine-3-carbothioamide

CAS No.:
1240529-47-8
Catalog Number:
AG01A9NW
Molecular Formula:
C8H14N2OS
Molecular Weight:
186.2746
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Product Description
Catalog Number:
AG01A9NW
Chemical Name:
hexahydro-1H-pyrrolo[2,1-c]morpholine-3-carbothioamide
CAS Number:
1240529-47-8
Molecular Formula:
C8H14N2OS
Molecular Weight:
186.2746
MDL Number:
MFCD16622161
IUPAC Name:
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-3-carbothioamide
InChI:
InChI=1S/C8H14N2OS/c9-8(12)7-4-10-3-1-2-6(10)5-11-7/h6-7H,1-5H2,(H2,9,12)
InChI Key:
XYTSWSRPTJQXAQ-UHFFFAOYSA-N
SMILES:
NC(=S)C1OCC2N(C1)CCC2
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.083g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.273g/mol
Monoisotopic Mass:
186.083g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties