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Home > Other Heterocycles > 124782-81-6
124782-81-6 | 2,5,7-Trithiabicyclo[2.2.1]heptane, 1,4-bis(1,1-dimethylethyl)-
CAS No: 124782-81-6 Catalog No: AG000MQ5 MDL No:
Product Description
Catalog Number:
AG000MQ5
Chemical Name:
2,5,7-Trithiabicyclo[2.2.1]heptane, 1,4-bis(1,1-dimethylethyl)-
CAS Number:
124782-81-6
Molecular Formula:
C12H22S3
Molecular Weight:
262.4981
IUPAC Name:
1,4-ditert-butyl-2,5,7-trithiabicyclo[2.2.1]heptane
InChI:
InChI=1S/C12H22S3/c1-9(2,3)11-7-14-12(15-11,8-13-11)10(4,5)6/h7-8H2,1-6H3
InChI Key:
SLZOTVMCXLHKMR-UHFFFAOYSA-N
SMILES:
CC(C12SCC(S2)(SC1)C(C)(C)C)(C)C
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.088g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.488g/mol
Monoisotopic Mass:
262.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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