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75606-67-6 | Thiazolidine,2-(3-heptenyl)-2-methyl-, (E)- (9CI)
CAS No: 75606-67-6 Catalog No: AG005JHW MDL No:
Product Description
Catalog Number:
AG005JHW
Chemical Name:
Thiazolidine,2-(3-heptenyl)-2-methyl-, (E)- (9CI)
CAS Number:
75606-67-6
Molecular Formula:
C11H21NS
Molecular Weight:
199.3561
IUPAC Name:
2-[(E)-hept-3-enyl]-2-methyl-1,3-thiazolidine
InChI:
InChI=1S/C11H21NS/c1-3-4-5-6-7-8-11(2)12-9-10-13-11/h5-6,12H,3-4,7-10H2,1-2H3/b6-5+
InChI Key:
VPGMNFFANPOGGC-AATRIKPKSA-N
SMILES:
CCC/C=C/CCC1(C)NCCS1
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
199.139g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.356g/mol
Monoisotopic Mass:
199.139g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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