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143893-28-1 | 1,3-Dithiane, 2-(3-methyl-3-cyclopenten-1-yl)-
CAS No: 143893-28-1 Catalog No: AG001IKW MDL No:
Product Description
Catalog Number:
AG001IKW
Chemical Name:
1,3-Dithiane, 2-(3-methyl-3-cyclopenten-1-yl)-
CAS Number:
143893-28-1
Molecular Formula:
C10H16S2
Molecular Weight:
200.3640
IUPAC Name:
2-(3-methylcyclopent-3-en-1-yl)-1,3-dithiane
InChI:
InChI=1S/C10H16S2/c1-8-3-4-9(7-8)10-11-5-2-6-12-10/h3,9-10H,2,4-7H2,1H3
InChI Key:
DBPBVZSJGCRUIX-UHFFFAOYSA-N
SMILES:
CC1=CCC(C1)C1SCCCS1
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.358g/mol
Monoisotopic Mass:
200.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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