Home Other Building Blocks 2-[(3-phenylpropyl)sulfanyl]acetic acid

2-[(3-phenylpropyl)sulfanyl]acetic acid

CAS No.:
30134-08-8
Catalog Number:
AG019NAU
Molecular Formula:
C11H14O2S
Molecular Weight:
210.2927
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Product Description
Catalog Number:
AG019NAU
Chemical Name:
2-[(3-phenylpropyl)sulfanyl]acetic acid
CAS Number:
30134-08-8
Molecular Formula:
C11H14O2S
Molecular Weight:
210.2927
MDL Number:
MFCD08442789
IUPAC Name:
2-(3-phenylpropylsulfanyl)acetic acid
InChI:
InChI=1S/C11H14O2S/c12-11(13)9-14-8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,12,13)
InChI Key:
BGBJUCFBIKHHMZ-UHFFFAOYSA-N
SMILES:
OC(=O)CSCCCc1ccccc1
NSC Number:
174583
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.071g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
210.291g/mol
Monoisotopic Mass:
210.071g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties