200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 114980-23-3
114980-23-3 | Benzenecarbothioamide, 3,5-dimethoxy-
CAS No: 114980-23-3 Catalog No: AG000FIF MDL No:
Product Description
Catalog Number:
AG000FIF
Chemical Name:
Benzenecarbothioamide, 3,5-dimethoxy-
CAS Number:
114980-23-3
Molecular Formula:
C9H11NO2S
Molecular Weight:
197.2541
IUPAC Name:
3,5-dimethoxybenzenecarbothioamide
InChI:
InChI=1S/C9H11NO2S/c1-11-7-3-6(9(10)13)4-8(5-7)12-2/h3-5H,1-2H3,(H2,10,13)
InChI Key:
TXHRWTBNPOCFIT-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc(c1)C(=S)N
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.252g/mol
Monoisotopic Mass:
197.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.