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364606-20-2

364606-20-2 | 2-MERCAPTO-3-PROPYL-1,3-DIAZA-SPIRO[4.5]DEC-1-EN-4-ONE

CAS No: 364606-20-2 Catalog No: AG01ANZI MDL No:MFCD04971120

Product Description

Catalog Number:
AG01ANZI
Chemical Name:
2-MERCAPTO-3-PROPYL-1,3-DIAZA-SPIRO[4.5]DEC-1-EN-4-ONE
CAS Number:
364606-20-2
Molecular Formula:
C11H18N2OS
Molecular Weight:
226.3384
MDL Number:
MFCD04971120
IUPAC Name:
3-propyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one
InChI:
InChI=1S/C11H18N2OS/c1-2-8-13-9(14)11(12-10(13)15)6-4-3-5-7-11/h2-8H2,1H3,(H,12,15)
InChI Key:
KWUIKLBMWSMCTI-UHFFFAOYSA-N
SMILES:
CCCN1C(=NC2(C1=O)CCCCC2)S

Properties

Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.114g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.338g/mol
Monoisotopic Mass:
226.114g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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