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102612-92-0

102612-92-0 | Thiazolidine, 2-(2-hexen-5-ynyl)-2-methyl-, (E)- (9CI)

CAS No: 102612-92-0 Catalog No: AG0007XH MDL No:

Product Description

Catalog Number:
AG0007XH
Chemical Name:
Thiazolidine, 2-(2-hexen-5-ynyl)-2-methyl-, (E)- (9CI)
CAS Number:
102612-92-0
Molecular Formula:
C10H15NS
Molecular Weight:
181.2978
IUPAC Name:
2-hex-2-en-5-ynyl-2-methyl-1,3-thiazolidine
InChI:
InChI=1S/C10H15NS/c1-3-4-5-6-7-10(2)11-8-9-12-10/h1,5-6,11H,4,7-9H2,2H3
InChI Key:
UZYWGHXCGUVXLH-UHFFFAOYSA-N
SMILES:
C#CC/C=C/CC1(C)NCCS1

Properties

Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.093g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.297g/mol
Monoisotopic Mass:
181.093g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.1  

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