Home Other Building Blocks 2-[(2-phenylethyl)sulfanyl]acetic acid

2-[(2-phenylethyl)sulfanyl]acetic acid

CAS No.:
99186-25-1
Catalog Number:
AG019KL3
Molecular Formula:
C10H12O2S
Molecular Weight:
196.2661
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Product Description
Catalog Number:
AG019KL3
Chemical Name:
2-[(2-phenylethyl)sulfanyl]acetic acid
CAS Number:
99186-25-1
Molecular Formula:
C10H12O2S
Molecular Weight:
196.2661
MDL Number:
MFCD00087233
IUPAC Name:
2-(2-phenylethylsulfanyl)acetic acid
InChI:
InChI=1S/C10H12O2S/c11-10(12)8-13-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,12)
InChI Key:
KLWBFPUIFBSIJV-UHFFFAOYSA-N
SMILES:
OC(=O)CSCCc1ccccc1
NSC Number:
158362
Properties
Complexity:
153  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
196.264g/mol
Monoisotopic Mass:
196.056g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties