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20600-60-6 | Acetic acid, 2-(propylthio)-
CAS No: 20600-60-6 Catalog No: AG002AGM MDL No:MFCD08445086
Product Description
Catalog Number:
AG002AGM
Chemical Name:
Acetic acid, 2-(propylthio)-
CAS Number:
20600-60-6
Molecular Formula:
C5H10O2S
Molecular Weight:
134.1967
MDL Number:
MFCD08445086
IUPAC Name:
2-propylsulfanylacetic acid
InChI:
InChI=1S/C5H10O2S/c1-2-3-8-4-5(6)7/h2-4H2,1H3,(H,6,7)
InChI Key:
ZLAIUYZHCQJJCE-UHFFFAOYSA-N
SMILES:
CCCSCC(=O)O
Properties
Complexity:
72.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.04g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
134.193g/mol
Monoisotopic Mass:
134.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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