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1379294-09-3 | S-3-tert-Butylphenylthioacetate
CAS No: 1379294-09-3 Catalog No: AG01FEW5 MDL No:
Product Description
Catalog Number:
AG01FEW5
Chemical Name:
S-3-tert-Butylphenylthioacetate
CAS Number:
1379294-09-3
Molecular Formula:
C12H16OS
Molecular Weight:
208.3198
IUPAC Name:
S-(3-tert-butylphenyl) ethanethioate
InChI:
InChI=1S/C12H16OS/c1-9(13)14-11-7-5-6-10(8-11)12(2,3)4/h5-8H,1-4H3
InChI Key:
NVEKWHYXZCHWRH-UHFFFAOYSA-N
SMILES:
CC(=O)Sc1cccc(c1)C(C)(C)C
Properties
Complexity:
205
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:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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