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113111-16-3

113111-16-3 | 1-Propanone, 1-(2-thiazolidinyl)-

CAS No: 113111-16-3 Catalog No: AG00787L MDL No:

Product Description

Catalog Number:
AG00787L
Chemical Name:
1-Propanone, 1-(2-thiazolidinyl)-
CAS Number:
113111-16-3
Molecular Formula:
C6H11NOS
Molecular Weight:
145.2226
IUPAC Name:
1-(1,3-thiazolidin-2-yl)propan-1-one
InChI:
InChI=1S/C6H11NOS/c1-2-5(8)6-7-3-4-9-6/h6-7H,2-4H2,1H3
InChI Key:
HNMYDPPZUXKFCS-UHFFFAOYSA-N
SMILES:
CCC(=O)C1NCCS1

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:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
145.22g/mol
Monoisotopic Mass:
145.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

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