Home Other Building Blocks 2-{1-[(phenylsulfanyl)methyl]cyclopropyl}acetic acid

2-{1-[(phenylsulfanyl)methyl]cyclopropyl}acetic acid

CAS No.:
1489830-03-6
Catalog Number:
AG01ACSH
Molecular Formula:
C12H14O2S
Molecular Weight:
222.3034
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Product Description
Catalog Number:
AG01ACSH
Chemical Name:
2-{1-[(phenylsulfanyl)methyl]cyclopropyl}acetic acid
CAS Number:
1489830-03-6
Molecular Formula:
C12H14O2S
Molecular Weight:
222.3034
MDL Number:
MFCD21246099
IUPAC Name:
2-[1-(phenylsulfanylmethyl)cyclopropyl]acetic acid
InChI:
InChI=1S/C12H14O2S/c13-11(14)8-12(6-7-12)9-15-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,14)
InChI Key:
ARWYBYUTAZKMTL-UHFFFAOYSA-N
SMILES:
OC(=O)CC1(CC1)CSc1ccccc1
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.071g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.302g/mol
Monoisotopic Mass:
222.071g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties