Home Carbonyls 4-(pyrrolidine-2-carbonyl)thiomorpholine

4-(pyrrolidine-2-carbonyl)thiomorpholine

CAS No.:
1189561-30-5
Catalog Number:
AG01AA0H
Molecular Formula:
C9H16N2OS
Molecular Weight:
200.3011
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Product Description
Catalog Number:
AG01AA0H
Chemical Name:
4-(pyrrolidine-2-carbonyl)thiomorpholine
CAS Number:
1189561-30-5
Molecular Formula:
C9H16N2OS
Molecular Weight:
200.3011
MDL Number:
MFCD11172256
IUPAC Name:
pyrrolidin-2-yl(thiomorpholin-4-yl)methanone
InChI:
InChI=1S/C9H16N2OS/c12-9(8-2-1-3-10-8)11-4-6-13-7-5-11/h8,10H,1-7H2
InChI Key:
ZIIAALYTCRMOJP-UHFFFAOYSA-N
SMILES:
O=C(N1CCSCC1)C1CCCN1
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.098g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.3g/mol
Monoisotopic Mass:
200.098g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties