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Home > Other Heterocycles > 820252-92-4
820252-92-4 | 6-Thia-4-azaspiro[2.4]hept-4-ene, 5-methyl-
CAS No: 820252-92-4 Catalog No: AG004XJ2 MDL No:
Product Description
Catalog Number:
AG004XJ2
Chemical Name:
6-Thia-4-azaspiro[2.4]hept-4-ene, 5-methyl-
CAS Number:
820252-92-4
Molecular Formula:
C6H9NS
Molecular Weight:
127.2074
IUPAC Name:
5-methyl-6-thia-4-azaspiro[2.4]hept-4-ene
InChI:
InChI=1S/C6H9NS/c1-5-7-6(2-3-6)4-8-5/h2-4H2,1H3
InChI Key:
GJZSJYLHCARXHT-UHFFFAOYSA-N
SMILES:
CC1=NC2(CS1)CC2
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.046g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.205g/mol
Monoisotopic Mass:
127.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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