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Home > Other Heterocycles > 736139-52-9
736139-52-9 | 1-Oxa-3-thia-5-azaspiro[3.4]octane-2-thione, 5-methyl-
CAS No: 736139-52-9 Catalog No: AG005C51 MDL No:
Product Description
Catalog Number:
AG005C51
Chemical Name:
1-Oxa-3-thia-5-azaspiro[3.4]octane-2-thione, 5-methyl-
CAS Number:
736139-52-9
Molecular Formula:
C6H9NOS2
Molecular Weight:
175.2718
IUPAC Name:
8-methyl-1-oxa-3-thia-8-azaspiro[3.4]octane-2-thione
InChI:
InChI=1S/C6H9NOS2/c1-7-4-2-3-6(7)8-5(9)10-6/h2-4H2,1H3
InChI Key:
RNRBMUPMKUPRSG-UHFFFAOYSA-N
SMILES:
S=C1OC2(S1)CCCN2C
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.013g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.264g/mol
Monoisotopic Mass:
175.013g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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