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16182-04-0 | Carbon(isothiocyanatidic) acid, ethyl ester
CAS No: 16182-04-0 Catalog No: AG001VWT MDL No:MFCD00004814
Product Description
Catalog Number:
AG001VWT
Chemical Name:
Carbon(isothiocyanatidic) acid, ethyl ester
CAS Number:
16182-04-0
Molecular Formula:
C4H5NO2S
Molecular Weight:
131.1530
MDL Number:
MFCD00004814
IUPAC Name:
ethyl N-(sulfanylidenemethylidene)carbamate
InChI:
InChI=1S/C4H5NO2S/c1-2-7-4(6)5-3-8/h2H2,1H3
InChI Key:
BDTDECDAHYOJRO-UHFFFAOYSA-N
SMILES:
CCOC(=O)N=C=S
EC Number:
240-318-9
NSC Number:
158480
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.004g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
131.149g/mol
Monoisotopic Mass:
131.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Ethyl N-[(benz-yloxy)thio-carbon-yl]carbamate. | Acta crystallographica. Section E, Structure reports online 20120201 |
| Identification of inhibitors of the Leishmania cdc2-related protein kinase CRK3. | ChemMedChem 20111209 |
| A monoclinic polymorph of N-eth-oxy-carbonyl-N'-(3-phenyl-1H-1,2,4-triazol-5-yl)thio-urea. | Acta crystallographica. Section E, Structure reports online 20100801 |
| 4-Carbethoxy-1-[4-(N,N-dimethylamino)benzoyl]thiosemicarbazide. | Acta crystallographica. Section E, Structure reports online 20100501 |
| N-Carbethoxy-N'-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]thiourea. | Acta crystallographica. Section E, Structure reports online 20100301 |
| N-Carbethoxy-N'-(3-phenyl-1H-1,2,4-triazol-5-yl)thiourea. | Acta crystallographica. Section E, Structure reports online 20100201 |
| Synthesis, Antiinflammatory and HIV-1 Integrase Inhibitory Activities of 1,2-Bis[5-thiazolyl]ethane-1,2-dione Derivatives. | Indian journal of pharmaceutical sciences 20090101 |
| Novel linear triaryl guanidines, N-substituted guanidines and potential prodrugs as antiprotozoal agents. | European journal of medicinal chemistry 20081201 |
| Screening for antidepressant, sedative and analgesic activities of novel fused thiophene derivatives. | Acta pharmaceutica (Zagreb, Croatia) 20080301 |
| The first cyclopentadienylalkylphosphane nickel chelates: synthesis, structures, and reactions. | Chemistry, an Asian journal 20070604 |
| Substituted 2-methylene-1,3-oxazolidines, -1,3-thiazolidines, -1,3-benzothiazines, -1,3-oxazines, and substituted imidazopyrimidinediones from Cl(CH2)nNCO and Cl(CH2)nNCS and active methylene compounds. | The Journal of organic chemistry 20061222 |
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