200,000+ products from a single source!
sales@angenechem.com
80986-28-3 | Propanoic acid,2-methyl-3-(methylthio)-, methyl ester
CAS No: 80986-28-3 Catalog No: AG005HT7 MDL No:
Product Description
Catalog Number:
AG005HT7
Chemical Name:
Propanoic acid,2-methyl-3-(methylthio)-, methyl ester
CAS Number:
80986-28-3
Molecular Formula:
C6H12O2S
Molecular Weight:
148.2233
IUPAC Name:
methyl 2-methyl-3-methylsulfanylpropanoate
InChI:
InChI=1S/C6H12O2S/c1-5(4-9-3)6(7)8-2/h5H,4H2,1-3H3
InChI Key:
PGXGJIBNKHDXAH-UHFFFAOYSA-N
SMILES:
CSCC(C(=O)OC)C
EC Number:
279-641-5
Properties
Complexity:
93.1
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:
0
Isotope Atom Count:
0
Molecular Weight:
148.22g/mol
Monoisotopic Mass:
148.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.