Home Other Building Blocks Mercaptoacetic acid benzyl ester

Mercaptoacetic acid benzyl ester

CAS No.:
7383-63-3
Catalog Number:
AG008PX7
Molecular Formula:
C9H10O2S
Molecular Weight:
182.2395
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Product Description
Catalog Number:
AG008PX7
Chemical Name:
Mercaptoacetic acid benzyl ester
CAS Number:
7383-63-3
Molecular Formula:
C9H10O2S
Molecular Weight:
182.2395
MDL Number:
MFCD04070643
IUPAC Name:
benzyl 2-sulfanylacetate
InChI:
InChI=1S/C9H10O2S/c10-9(7-12)11-6-8-4-2-1-3-5-8/h1-5,12H,6-7H2
InChI Key:
XTCXSNIRIUQZLY-UHFFFAOYSA-N
SMILES:
SCC(=O)OCc1ccccc1
Properties
Complexity:
142  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.04g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.237g/mol
Monoisotopic Mass:
182.04g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
27.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties