| Formula |
C19H23N4O6PS |
| IUPAC Name |
s-[(e)-2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-phosphonooxyethyl)prop-1-enyl] benzenecarbothioate |
| Molecular Mass |
466.448 g·mol−1 |
| Heat of Formation |
-1185.5 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.92 ± 1.08 D |
| Volume |
516.74 Å 3 |
| Surface Area |
381.32 Å 2 |
| HOMO Energy |
-9.21 ± 0.55 eV |
| LUMO Energy |
-0.92 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- benfotiamine (jan)
- benzenecarbothioic acid s-[(e)-2-[(4-amino-2-methyl-5-pyrimidinyl)methyl-formylamino]-1-(2-phosphonooxyethyl)prop-1-enyl] ester
- benzenecarbothioic acid s-[2-[(4-amino-2-methyl-5-pyrimidinyl)methyl-formylamino]-1-(2-phosphonooxyethyl)prop-1-enyl] ester
- d01255
- s-[(e)-2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-phosphonooxyethyl)prop-1-enyl] benzenecarbothioate
- s-[(e)-2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-5-phosphonooxy-pent-2-en-3-yl] benzenecarbothioate
- s-[(e)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-phosphonooxypent-2-en-3-yl] benzenecarbothioate
- s-[2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-phosphonooxyethyl)prop-1-enyl] benzenecarbothioate
- s-[2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-5-phosphonooxy-pent-2-en-3-yl] benzenecarbothioate
- s-[2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-phosphonooxypent-2-en-3-yl] benzenecarbothioate
- smp1_000041
- thiobenzoic acid s-[(e)-2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-phosphonooxyethyl)prop-1-enyl] ester
|
| InChIKey |
BTNNPSLJPBRMLZ-GHRIWEEISA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
| Elements |
C
H
O
N
P
S
|
| |
|
