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39137-29-6

39137-29-6 | 3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione

CAS No: 39137-29-6 Catalog No: AG00K7K7 MDL No:MFCD04319131

Product Description

Catalog Number:
AG00K7K7
Chemical Name:
3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione
CAS Number:
39137-29-6
Molecular Formula:
C6H5NO2S
Molecular Weight:
155.1744
MDL Number:
MFCD04319131
IUPAC Name:
3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C6H5NO2S/c1-2-3-7-5(8)4-10-6(7)9/h1H,3-4H2
InChI Key:
AGUSZZRAQMEXDZ-UHFFFAOYSA-N
SMILES:
C#CCN1C(=O)CSC1=O

Properties

Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.004g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.171g/mol
Monoisotopic Mass:
155.004g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

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