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102607-00-1 | Ethanethioic acid, S-[(4-methoxyphenyl)methyl] ester
CAS No: 102607-00-1 Catalog No: AG0007WK MDL No:
Product Description
Catalog Number:
AG0007WK
Chemical Name:
Ethanethioic acid, S-[(4-methoxyphenyl)methyl] ester
CAS Number:
102607-00-1
Molecular Formula:
C10H12O2S
Molecular Weight:
196.2661
IUPAC Name:
S-[(4-methoxyphenyl)methyl] ethanethioate
InChI:
InChI=1S/C10H12O2S/c1-8(11)13-7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3
InChI Key:
MRSZZJSICSXHRC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CSC(=O)C
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.264g/mol
Monoisotopic Mass:
196.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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