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Home > Other Heterocycles > 31404-02-1
31404-02-1 | 7-METHYL-1-THIA-4-AZASPIRO[4.5]DECANE
CAS No: 31404-02-1 Catalog No: AG01C9D0 MDL No:MFCD23920133
Product Description
Catalog Number:
AG01C9D0
Chemical Name:
7-METHYL-1-THIA-4-AZASPIRO[4.5]DECANE
CAS Number:
31404-02-1
Molecular Formula:
C9H17NS
Molecular Weight:
171.3030
MDL Number:
MFCD23920133
IUPAC Name:
7-methyl-1-thia-4-azaspiro[4.5]decane
InChI:
InChI=1S/C9H17NS/c1-8-3-2-4-9(7-8)10-5-6-11-9/h8,10H,2-7H2,1H3
InChI Key:
PIBOWVBAFBLFDD-UHFFFAOYSA-N
SMILES:
CC1CCCC2(C1)NCCS2
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.108g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.302g/mol
Monoisotopic Mass:
171.108g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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