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160982-09-2 | Ethanone, 1-[5-chloro-2-[(phenylmethyl)thio]-3-thienyl]-
CAS No: 160982-09-2 Catalog No: AG001VKG MDL No:MFCD09033308
Product Description
Catalog Number:
AG001VKG
Chemical Name:
Ethanone, 1-[5-chloro-2-[(phenylmethyl)thio]-3-thienyl]-
CAS Number:
160982-09-2
Molecular Formula:
C13H11ClOS2
Molecular Weight:
282.8088
MDL Number:
MFCD09033308
IUPAC Name:
1-(2-benzylsulfanyl-5-chlorothiophen-3-yl)ethanone
InChI:
InChI=1S/C13H11ClOS2/c1-9(15)11-7-12(14)17-13(11)16-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChI Key:
REGHIPPKDCMIBD-UHFFFAOYSA-N
SMILES:
Clc1cc(c(s1)SCc1ccccc1)C(=O)C
EC Number:
926-543-1
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.994g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.8g/mol
Monoisotopic Mass:
281.994g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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