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Home > Other Heterocycles > 177-16-2
177-16-2 | 1,4-Dithiaspiro[4.5]decane
CAS No: 177-16-2 Catalog No: AG00252N MDL No:
Product Description
Catalog Number:
AG00252N
Chemical Name:
1,4-Dithiaspiro[4.5]decane
CAS Number:
177-16-2
Molecular Formula:
C8H14S2
Molecular Weight:
174.3268
IUPAC Name:
1,4-dithiaspiro[4.5]decane
InChI:
InChI=1S/C8H14S2/c1-2-4-8(5-3-1)9-6-7-10-8/h1-7H2
InChI Key:
CWBCHVVTDJAGBP-UHFFFAOYSA-N
SMILES:
C1CCC2(CC1)SCCS2
UNII:
EW3CK98G6C
NSC Number:
47026
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.054g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.32g/mol
Monoisotopic Mass:
174.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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