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75606-68-7 | Thiazolidine,2-(3,6-heptadienyl)-2-methyl-, (E)- (9CI)
CAS No: 75606-68-7 Catalog No: AG005JHV MDL No:
Product Description
Catalog Number:
AG005JHV
Chemical Name:
Thiazolidine,2-(3,6-heptadienyl)-2-methyl-, (E)- (9CI)
CAS Number:
75606-68-7
Molecular Formula:
C11H19NS
Molecular Weight:
197.3403
IUPAC Name:
2-hepta-3,6-dienyl-2-methyl-1,3-thiazolidine
InChI:
InChI=1S/C11H19NS/c1-3-4-5-6-7-8-11(2)12-9-10-13-11/h3,5-6,12H,1,4,7-10H2,2H3
InChI Key:
KRHJFKNMTRVNSR-UHFFFAOYSA-N
SMILES:
C=CC/C=C/CCC1(C)NCCS1
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.124g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.34g/mol
Monoisotopic Mass:
197.124g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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