200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 88472-04-2
88472-04-2 | Benzenecarbothioic acid, S-[2-methyl-1-(methylthio)-1-propenyl] ester
CAS No: 88472-04-2 Catalog No: AG004ACQ MDL No:
Product Description
Catalog Number:
AG004ACQ
Chemical Name:
Benzenecarbothioic acid, S-[2-methyl-1-(methylthio)-1-propenyl] ester
CAS Number:
88472-04-2
Molecular Formula:
C12H14OS2
Molecular Weight:
238.3690
IUPAC Name:
S-(2-methyl-1-methylsulfanylprop-1-enyl) benzenecarbothioate
InChI:
InChI=1S/C12H14OS2/c1-9(2)12(14-3)15-11(13)10-7-5-4-6-8-10/h4-8H,1-3H3
InChI Key:
KAXFFIHQJLLRGV-UHFFFAOYSA-N
SMILES:
CSC(=C(C)C)SC(=O)c1ccccc1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.049g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.363g/mol
Monoisotopic Mass:
238.049g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.