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Home > Other Heterocycles > 958451-81-5
958451-81-5 | 1,4-dithia-7-azaspiro[4.4]nonane;hydrochloride
CAS No: 958451-81-5 Catalog No: AG00IJH1 MDL No:MFCD11036094
Product Description
Catalog Number:
AG00IJH1
Chemical Name:
1,4-dithia-7-azaspiro[4.4]nonane;hydrochloride
CAS Number:
958451-81-5
Molecular Formula:
C6H12ClNS2
Molecular Weight:
197.7492
MDL Number:
MFCD11036094
IUPAC Name:
1,4-dithia-7-azaspiro[4.4]nonane;hydrochloride
InChI:
InChI=1S/C6H11NS2.ClH/c1-2-7-5-6(1)8-3-4-9-6;/h7H,1-5H2;1H
InChI Key:
NUHBEFICDRSGPA-UHFFFAOYSA-N
SMILES:
C1NCC2(C1)SCCS2.Cl
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.01g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.739g/mol
Monoisotopic Mass:
197.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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