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1443304-92-4 | 2-Chlorobenzyl ethyl sulfide
CAS No: 1443304-92-4 Catalog No: AG01FFB4 MDL No:
Product Description
Catalog Number:
AG01FFB4
Chemical Name:
2-Chlorobenzyl ethyl sulfide
CAS Number:
1443304-92-4
Molecular Formula:
C9H11ClS
Molecular Weight:
186.7016
IUPAC Name:
1-chloro-2-(ethylsulfanylmethyl)benzene
InChI:
InChI=1S/C9H11ClS/c1-2-11-7-8-5-3-4-6-9(8)10/h3-6H,2,7H2,1H3
InChI Key:
VGANUOSTOZGOSY-UHFFFAOYSA-N
SMILES:
CCSCc1ccccc1Cl
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.027g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.697g/mol
Monoisotopic Mass:
186.027g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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