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307537-95-7 | Ethanethioic acid, S-[(4-ethynylphenyl)methyl] ester
CAS No: 307537-95-7 Catalog No: AG003169 MDL No:
Product Description
Catalog Number:
AG003169
Chemical Name:
Ethanethioic acid, S-[(4-ethynylphenyl)methyl] ester
CAS Number:
307537-95-7
Molecular Formula:
C11H10OS
Molecular Weight:
190.2615
IUPAC Name:
S-[(4-ethynylphenyl)methyl] ethanethioate
InChI:
InChI=1S/C11H10OS/c1-3-10-4-6-11(7-5-10)8-13-9(2)12/h1,4-7H,8H2,2H3
InChI Key:
XEOGHHBZYSIDIG-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(cc1)CSC(=O)C
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.045g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.26g/mol
Monoisotopic Mass:
190.045g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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