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Home > Other Heterocycles > 13639-02-6
13639-02-6 | 2,5,7-Trithiabicyclo[2.2.1]heptane, 1,4-dimethyl-
CAS No: 13639-02-6 Catalog No: AG0011UK MDL No:
Product Description
Catalog Number:
AG0011UK
Chemical Name:
2,5,7-Trithiabicyclo[2.2.1]heptane, 1,4-dimethyl-
CAS Number:
13639-02-6
Molecular Formula:
C6H10S3
Molecular Weight:
178.3386
IUPAC Name:
1,4-dimethyl-2,5,7-trithiabicyclo[2.2.1]heptane
InChI:
InChI=1S/C6H10S3/c1-5-3-8-6(2,9-5)4-7-5/h3-4H2,1-2H3
InChI Key:
HJICOHYTXANQQG-UHFFFAOYSA-N
SMILES:
CC12SCC(S2)(SC1)C
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.994g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.326g/mol
Monoisotopic Mass:
177.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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