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75606-59-6 | 2-METHYL-2-(3,4-PENTADIENYL)THIAZOLIDINE
CAS No: 75606-59-6 Catalog No: AG008PRS MDL No:
Product Description
Catalog Number:
AG008PRS
Chemical Name:
2-METHYL-2-(3,4-PENTADIENYL)THIAZOLIDINE
CAS Number:
75606-59-6
Molecular Formula:
C9H15NS
Molecular Weight:
169.2871
IUPAC Name:
2-methyl-2-penta-3,4-dienyl-1,3-thiazolidine
InChI:
InChI=1S/C9H15NS/c1-3-4-5-6-9(2)10-7-8-11-9/h4,10H,1,5-8H2,2H3
InChI Key:
QACMFMCVAMDINW-UHFFFAOYSA-N
SMILES:
C=C=CCCC1(C)NCCS1
Properties
Complexity:
172
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.093g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.286g/mol
Monoisotopic Mass:
169.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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