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15867-06-8 | Carbamodithioic acid, N-(phenylmethyl)-
CAS No: 15867-06-8 Catalog No: AG001QR6 MDL No:MFCD20661257
Product Description
Catalog Number:
AG001QR6
Chemical Name:
Carbamodithioic acid, N-(phenylmethyl)-
CAS Number:
15867-06-8
Molecular Formula:
C8H9NS2
Molecular Weight:
183.2938
MDL Number:
MFCD20661257
IUPAC Name:
benzylcarbamodithioic acid
InChI:
InChI=1S/C8H9NS2/c10-8(11)9-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10,11)
InChI Key:
NLGSBXAWUUVELO-UHFFFAOYSA-N
SMILES:
SC(=S)NCc1ccccc1
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.018g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
183.287g/mol
Monoisotopic Mass:
183.018g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| The use of a cis-dioxomolybdenum(VI) dinuclear complex with quadradentate 1,4-benzenediylbis(benzyldithiocarbamate)(2-) as model compound for the active site of oxo transfer molybdoenzymes: reactivity, kinetics, and catalysis. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120301 |
| Potent inhibitory effects of benzyl and p-xylidine-bis dithiocarbamate sodium salts on activities of mushroom tyrosinase. | Journal of enzyme inhibition and medicinal chemistry 20100401 |
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