Formula |
C5H6N4S |
IUPAC Name |
5-amino-3-methylsulfanyl-1h-pyrazole-4-carbonitrile |
Molecular Mass |
154.193 g·mol−1 |
Heat of Formation |
311.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.32 ± 1.08 D |
Volume |
177.03 Å 3 |
Surface Area |
180.44 Å 2 |
HOMO Energy |
-8.55 ± 0.55 eV |
LUMO Energy |
2.81 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 3-amino-5-(methylthio)-2h-pyrazole-4-carbonitrile
- 3-amino-5-methylsulfanyl-2h-pyrazole-4-carbonitrile
- 5-amino-3-methylsulfanyl-1h-pyrazole-4-carbonitrile
- asn 12371813
|
CAS Number(s) |
|
InChIKey |
IUVUVQGOSHLPJV-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
N
|
|
|