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165804-07-9 | Propanoic acid, 3-mercapto-, propyl ester
CAS No: 165804-07-9 Catalog No: AG001WD7 MDL No:
Product Description
Catalog Number:
AG001WD7
Chemical Name:
Propanoic acid, 3-mercapto-, propyl ester
CAS Number:
165804-07-9
Molecular Formula:
C6H12O2S
Molecular Weight:
148.2233
IUPAC Name:
propyl 3-sulfanylpropanoate
InChI:
InChI=1S/C6H12O2S/c1-2-4-8-6(7)3-5-9/h9H,2-5H2,1H3
InChI Key:
RIMHDIYZJQVNSO-UHFFFAOYSA-N
SMILES:
CCCOC(=O)CCS
Properties
Complexity:
83.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.056g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
148.22g/mol
Monoisotopic Mass:
148.056g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
27.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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