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Home > Other Building Blocks > 83009-94-3
83009-94-3 | Pentanoic acid, 5-mercapto-, methyl ester
CAS No: 83009-94-3 Catalog No: AG005DR4 MDL No:MFCD25967553
Product Description
Catalog Number:
AG005DR4
Chemical Name:
Pentanoic acid, 5-mercapto-, methyl ester
CAS Number:
83009-94-3
Molecular Formula:
C6H12O2S
Molecular Weight:
148.2233
MDL Number:
MFCD25967553
IUPAC Name:
methyl 5-sulfanylpentanoate
InChI:
InChI=1S/C6H12O2S/c1-8-6(7)4-2-3-5-9/h9H,2-5H2,1H3
InChI Key:
QPUJGZBRSXYOTP-UHFFFAOYSA-N
SMILES:
SCCCCC(=O)OC
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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