200,000+ products from a single source!
sales@angenechem.com
84559-98-8 | Butanoic acid,3-methyl-, 3-(methylthio)propyl ester
CAS No: 84559-98-8 Catalog No: AG004UQB MDL No:
Product Description
Catalog Number:
AG004UQB
Chemical Name:
Butanoic acid,3-methyl-, 3-(methylthio)propyl ester
CAS Number:
84559-98-8
Molecular Formula:
C9H18O2S
Molecular Weight:
190.3030
IUPAC Name:
3-methylsulfanylpropyl 3-methylbutanoate
InChI:
InChI=1S/C9H18O2S/c1-8(2)7-9(10)11-5-4-6-12-3/h8H,4-7H2,1-3H3
InChI Key:
XOTYBNFHVHYKJB-UHFFFAOYSA-N
SMILES:
CSCCCOC(=O)CC(C)C
EC Number:
283-185-2
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.103g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.301g/mol
Monoisotopic Mass:
190.103g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.