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161715-28-2 | Ethanethioic acid, S-[1-(4,5-dihydro-2-thiazolyl)-3-azetidinyl] ester
CAS No: 161715-28-2 Catalog No: AG001VTV MDL No:MFCD18071610
Product Description
Catalog Number:
AG001VTV
Chemical Name:
Ethanethioic acid, S-[1-(4,5-dihydro-2-thiazolyl)-3-azetidinyl] ester
CAS Number:
161715-28-2
Molecular Formula:
C8H12N2OS2
Molecular Weight:
216.3237
MDL Number:
MFCD18071610
IUPAC Name:
S-[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl] ethanethioate
InChI:
InChI=1S/C8H12N2OS2/c1-6(11)13-7-4-10(5-7)8-9-2-3-12-8/h7H,2-5H2,1H3
InChI Key:
FOCHWRRZRMBNMV-UHFFFAOYSA-N
SMILES:
CC(=O)SC1CN(C1)C1=NCCS1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.039g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.317g/mol
Monoisotopic Mass:
216.039g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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