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113638-28-1 | 1,3-Dithiolane, 2-(2-methyl-4-penten-1-ylidene)-
CAS No: 113638-28-1 Catalog No: AG00096J MDL No:
Product Description
Catalog Number:
AG00096J
Chemical Name:
1,3-Dithiolane, 2-(2-methyl-4-penten-1-ylidene)-
CAS Number:
113638-28-1
Molecular Formula:
C9H14S2
Molecular Weight:
186.3375
IUPAC Name:
2-(2-methylpent-4-enylidene)-1,3-dithiolane
InChI:
InChI=1S/C9H14S2/c1-3-4-8(2)7-9-10-5-6-11-9/h3,7-8H,1,4-6H2,2H3
InChI Key:
QAXWHZHKOHPTPR-UHFFFAOYSA-N
SMILES:
C=CCC(C=C1SCCS1)C
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.054g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.331g/mol
Monoisotopic Mass:
186.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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