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113729-12-7 | 2(3H)-Furanthione, 3-ethyldihydro-5-[(phenylmethoxy)methyl]- (9CI)
CAS No: 113729-12-7 Catalog No: AG0009H4 MDL No:
Product Description
Catalog Number:
AG0009H4
Chemical Name:
2(3H)-Furanthione, 3-ethyldihydro-5-[(phenylmethoxy)methyl]- (9CI)
CAS Number:
113729-12-7
Molecular Formula:
C14H18O2S
Molecular Weight:
250.3565
IUPAC Name:
3-ethyl-5-(phenylmethoxymethyl)oxolane-2-thione
InChI:
InChI=1S/C14H18O2S/c1-2-12-8-13(16-14(12)17)10-15-9-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3
InChI Key:
HAZXTAZNFYHJCA-UHFFFAOYSA-N
SMILES:
CCC1CC(OC1=S)COCc1ccccc1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.103g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.356g/mol
Monoisotopic Mass:
250.103g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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