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82118-28-3 | Methyl 2-[(pyridin-4-ylmethyl)sulfanyl]acetate
CAS No: 82118-28-3 Catalog No: AG01FA6R MDL No:MFCD28166148
Product Description
Catalog Number:
AG01FA6R
Chemical Name:
Methyl 2-[(pyridin-4-ylmethyl)sulfanyl]acetate
CAS Number:
82118-28-3
Molecular Formula:
C9H11NO2S
Molecular Weight:
197.2541
MDL Number:
MFCD28166148
IUPAC Name:
methyl 2-(pyridin-4-ylmethylsulfanyl)acetate
InChI:
InChI=1S/C9H11NO2S/c1-12-9(11)7-13-6-8-2-4-10-5-3-8/h2-5H,6-7H2,1H3
InChI Key:
OGMCKHVYPNZIIX-UHFFFAOYSA-N
SMILES:
COC(=O)CSCc1ccncc1
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.252g/mol
Monoisotopic Mass:
197.051g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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