Formula |
C8H8ClN5OS |
IUPAC Name |
s-purin-7-ium-6-yl n-(2-chloroethyl)carbamothioate |
Molecular Mass |
257.700 g·mol−1 |
Heat of Formation |
71.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.45 ± 1.08 D |
Volume |
269.84 Å 3 |
Surface Area |
246.49 Å 2 |
HOMO Energy |
-9.44 ± 0.55 eV |
LUMO Energy |
-1.49 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2-chloroethylamino)methanethioic acid s-(7h-purin-6-yl) ester
- 6-(n-(2-chloroethyl)carbamoyl)thio purine
- carbamothioic acid, (2-chloroethyl)-, s-1h-purin-6-yl ester
- cloturin
- n-(2-chloroethyl)thiocarbamic acid 6-purinyl ester
- s-(7h-purin-6-yl) (2-chloroethylamino)methanethioate
- s-1h-purin-6-yl (2-chloroethyl)carbamothioate
- vufb-15686
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CAS Number(s) |
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InChIKey |
OQBORDVFGPUGDV-UHFFFAOYSA-N |
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Links |
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Downloads |
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Elements |
C
Cl
H
O
N
S
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