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56347-27-4 | 3-hexyl-2-thioxo-1,3-thiazolidin-4-one
CAS No: 56347-27-4 Catalog No: AG00J8T6 MDL No:MFCD10040388
Product Description
Catalog Number:
AG00J8T6
Chemical Name:
3-hexyl-2-thioxo-1,3-thiazolidin-4-one
CAS Number:
56347-27-4
Molecular Formula:
C9H15NOS2
Molecular Weight:
217.3515
MDL Number:
MFCD10040388
IUPAC Name:
3-hexyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C9H15NOS2/c1-2-3-4-5-6-10-8(11)7-13-9(10)12/h2-7H2,1H3
InChI Key:
LPASVVQQHVDHIG-UHFFFAOYSA-N
SMILES:
CCCCCCN1C(=S)SCC1=O
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.06g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.345g/mol
Monoisotopic Mass:
217.06g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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