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1378864-61-9 | S-4-iso-Butylphenylthioacetate
CAS No: 1378864-61-9 Catalog No: AG01FF1Q MDL No:
Product Description
Catalog Number:
AG01FF1Q
Chemical Name:
S-4-iso-Butylphenylthioacetate
CAS Number:
1378864-61-9
Molecular Formula:
C12H16OS
Molecular Weight:
208.3198
IUPAC Name:
S-[4-(2-methylpropyl)phenyl] ethanethioate
InChI:
InChI=1S/C12H16OS/c1-9(2)8-11-4-6-12(7-5-11)14-10(3)13/h4-7,9H,8H2,1-3H3
InChI Key:
DQQZLIMLBKYGGJ-UHFFFAOYSA-N
SMILES:
CC(Cc1ccc(cc1)SC(=O)C)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.092g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.319g/mol
Monoisotopic Mass:
208.092g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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