Home Other Building Blocks Carbon(isothiocyanatidic) acid, ethyl ester

Carbon(isothiocyanatidic) acid, ethyl ester

CAS No.:
16182-04-0
Catalog Number:
AG001VWT
Molecular Formula:
C4H5NO2S
Molecular Weight:
131.1530
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$33
- +
5g
95%
In Stock USA
United States
$58
- +
25g
95%
In Stock USA
United States
$123
- +
100g
95%
In Stock USA
United States
$332
- +
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
Properties