200,000+ products from a single source!
sales@angenechem.com
141391-20-0 | 2(3H)-Benzothiazolone, 5-isothiocyanato-3-(1-oxopropyl)-
CAS No: 141391-20-0 Catalog No: AG001GCS MDL No:
Product Description
Catalog Number:
AG001GCS
Chemical Name:
2(3H)-Benzothiazolone, 5-isothiocyanato-3-(1-oxopropyl)-
CAS Number:
141391-20-0
Molecular Formula:
C11H8N2O2S2
Molecular Weight:
264.3234
IUPAC Name:
5-isothiocyanato-3-propanoyl-1,3-benzothiazol-2-one
InChI:
InChI=1S/C11H8N2O2S2/c1-2-10(14)13-8-5-7(12-6-16)3-4-9(8)17-11(13)15/h3-5H,2H2,1H3
InChI Key:
YPHHRBXHPDBHAA-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc2c(c1)n(C(=O)CC)c(=O)s2
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.003g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.317g/mol
Monoisotopic Mass:
264.003g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.