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852997-30-9 | 3-(METHYLTHIO)PROPYL MERCAPTOACETATE
CAS No: 852997-30-9 Catalog No: AG004UVE MDL No:MFCD19440668
Product Description
Catalog Number:
AG004UVE
Chemical Name:
3-(METHYLTHIO)PROPYL MERCAPTOACETATE
CAS Number:
852997-30-9
Molecular Formula:
C6H12O2S2
Molecular Weight:
180.2883
MDL Number:
MFCD19440668
IUPAC Name:
3-methylsulfanylpropyl 2-sulfanylacetate
InChI:
InChI=1S/C6H12O2S2/c1-10-4-2-3-8-6(7)5-9/h9H,2-5H2,1H3
InChI Key:
CNFYMFGPHSETCO-UHFFFAOYSA-N
SMILES:
CSCCCOC(=O)CS
UNII:
3RI9Z9IR02
FEMA Number:
4561
Properties
Complexity:
95.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.028g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.28g/mol
Monoisotopic Mass:
180.028g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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