Formula |
C13H17N3O5S |
IUPAC Name |
methyl n-[methyl-(2-nitro-4-propoxy-phenyl)carbamothioyl]carbamate |
Molecular Mass |
327.356 g·mol−1 |
Heat of Formation |
-370.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
9.66 ± 1.08 D |
Volume |
368.69 Å 3 |
Surface Area |
331.76 Å 2 |
HOMO Energy |
-8.46 ± 0.55 eV |
LUMO Energy |
-1.71 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- carbamic acid, ((methyl(2-nitro-4-propoxyphenyl)amino)thioxomethyl)-, methyl est
- methyl n-[methyl-(2-nitro-4-propoxy-phenyl)carbamothioyl]carbamate
- methyl n-[methyl-(2-nitro-4-propoxyphenyl)carbamothioyl]carbamate
- n-[[methyl-(2-nitro-4-propoxyphenyl)amino]-thioxomethyl]carbamic acid methyl ester
- n-[methyl-(2-nitro-4-propoxy-phenyl)thiocarbamoyl]carbamic acid methyl ester
- sch-23154
|
CAS Number(s) |
|
InChIKey |
XAMBWYOBLRPPBV-UHFFFAOYSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
S
C
O
N
|
|
|