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75606-57-4 | Thiazolidine,2-methyl-2-(3-pentenyl)-, (E)- (9CI)
CAS No: 75606-57-4 Catalog No: AG005AOI MDL No:
Product Description
Catalog Number:
AG005AOI
Chemical Name:
Thiazolidine,2-methyl-2-(3-pentenyl)-, (E)- (9CI)
CAS Number:
75606-57-4
Molecular Formula:
C9H17NS
Molecular Weight:
171.3030
IUPAC Name:
2-methyl-2-[(E)-pent-3-enyl]-1,3-thiazolidine
InChI:
InChI=1S/C9H17NS/c1-3-4-5-6-9(2)10-7-8-11-9/h3-4,10H,5-8H2,1-2H3/b4-3+
InChI Key:
NUWRRQVAYLJYHI-ONEGZZNKSA-N
SMILES:
C/C=C/CCC1(C)NCCS1
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
171.108g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.302g/mol
Monoisotopic Mass:
171.108g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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