200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 13250-46-9
13250-46-9 | Acetyl isothiocyanate
CAS No: 13250-46-9 Catalog No: AG0010RL MDL No:MFCD01862831
Product Description
Catalog Number:
AG0010RL
Chemical Name:
Acetyl isothiocyanate
CAS Number:
13250-46-9
Molecular Formula:
C3H3NOS
Molecular Weight:
101.1270
MDL Number:
MFCD01862831
IUPAC Name:
acetyl isothiocyanate
InChI:
InChI=1S/C3H3NOS/c1-3(5)4-2-6/h1H3
InChI Key:
VITFJKNVGRZRKB-UHFFFAOYSA-N
SMILES:
CC(=O)N=C=S
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.994g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
101.123g/mol
Monoisotopic Mass:
100.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Stimulation of the chemosensory TRPA1 cation channel by volatile toxic substances promotes cell survival of small cell lung cancer cells. | Biochemical pharmacology 20130201 |
| Ab initio study of the barriers to methyl torsion and torsional frequencies of acetyl molecules. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20050501 |
| C-terminal sequence analysis of peptides using triphenylgermanyl isothiocyanate. | Analytical biochemistry 20020301 |
| Chemical carboxyl-terminal sequence analysis of peptides and proteins using tribenzylsilyl isothiocyanate. | Journal of protein chemistry 20011001 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.