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1221792-92-2 | octahydro-1H-spiro[naphthalene-2,2'-[1,3]thiazolidine]
CAS No: 1221792-92-2 Catalog No: AG00IZAB MDL No:MFCD16140313
Product Description
Catalog Number:
AG00IZAB
Chemical Name:
octahydro-1H-spiro[naphthalene-2,2'-[1,3]thiazolidine]
CAS Number:
1221792-92-2
Molecular Formula:
C12H21NS
Molecular Weight:
211.3668
MDL Number:
MFCD16140313
IUPAC Name:
spiro[1,3-thiazolidine-2,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene]
InChI:
InChI=1S/C12H21NS/c1-2-4-11-9-12(13-7-8-14-12)6-5-10(11)3-1/h10-11,13H,1-9H2
InChI Key:
QGBHEKOPFUSDOP-UHFFFAOYSA-N
SMILES:
C1CCC2C(C1)CC1(CC2)NCCS1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.139g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.367g/mol
Monoisotopic Mass:
211.139g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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