| Formula |
C18H26N4O6S |
| IUPAC Name |
ethyl [(z)-2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-ethoxycarbonyloxyethyl)prop-1-enyl]sulfanylformate |
| Molecular Mass |
426.487 g·mol−1 |
| Heat of Formation |
-1010.4 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.48 ± 1.08 D |
| Volume |
498.4 Å 3 |
| Surface Area |
387.14 Å 2 |
| HOMO Energy |
-9.05 ± 0.55 eV |
| LUMO Energy |
2.20 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- [[(z)-2-[(4-amino-2-methyl-5-pyrimidinyl)methyl-formylamino]-1-(2-ethoxycarbonyloxyethyl)prop-1-enyl]thio]formic acid ethyl ester
- [[(z)-2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-carbethoxyoxyethyl)prop-1-enyl]thio]formic acid ethyl ester
- cetotiamine
- ethyl [(z)-2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-ethoxycarbonyloxyethyl)prop-1-enyl]sulfanylformate
- ethyl [(z)-2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-5-ethoxycarbonyloxy-pent-2-en-3-yl]sulfanylmethanoate
- ethyl [(z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-ethoxycarbonyloxypent-2-en-3-yl]sulfanylformate
- o,s-bis(ethoxycarbonyl)thiamine
- o,s-dicarbethoxythiamine
- s-ester of o-ethyl thiocarbonate with n-((4-amino-2-methyl-5-pyrimidinyl)methyl)-n-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide ethyl carbonate
- s-ester of o-ethyl thiocarbonate with n-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-n-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide ethyl carbonate
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| CAS Number(s) |
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| InChIKey |
YBROOZNJUDHTGE-QINSGFPZSA-N |
| QR Code |
Generate QR Code |
| Links |
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|
| DOI |
|
| Downloads |
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|
| Elements |
H
S
C
O
N
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