Formula |
C8H14N4S |
IUPAC Name |
2-(4-pyrazol-1-ium-2-id-4-ylbutyl)isothiourea |
Molecular Mass |
198.289 g·mol−1 |
Heat of Formation |
188.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.63 ± 1.08 D |
Volume |
248.84 Å 3 |
Surface Area |
245.38 Å 2 |
HOMO Energy |
-8.90 ± 0.55 eV |
LUMO Energy |
-0.34 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- (4-pyrazolyl)butylisothiourea
- 4-(1h-pyrazol-4-yl)butylsulfanylformamidine
- 4-(1h-pyrazol-4-yl)butylsulfanylmethanimidamide
- 4-pyrazolylbutylisothiourea
- [4-(1h-pyrazol-4-yl)butylthio]formamidine
- carbamimidothioic acid, 4-(1h-pyrazol-4-yl)butyl ester
|
CAS Number(s) |
|
InChIKey |
YMQYXKPNMLSMGO-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
|
|
|