Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C16H16ClNO2S.H2O4S |
| Molecular Weight | 419.9 |
| Optical Activity | ( - ) |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.COC(=O)[C@H](N1CCC2=C(C1)C=CS2)C3=C(Cl)C=CC=C3
InChI
InChIKey=FDEODCTUSIWGLK-XFULWGLBSA-N
InChI=1S/C16H16ClNO2S.H2O4S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14;1-5(2,3)4/h2-5,7,9,15H,6,8,10H2,1H3;(H2,1,2,3,4)/t15-;/m1./s1
| Molecular Formula | C16H16ClNO2S |
| Molecular Weight | 321.822 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | H2O4S |
| Molecular Weight | 98.078 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 14:03:37 GMT 2025
by
admin
on
Wed Apr 02 14:03:37 GMT 2025
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| Record UNII |
39KXS67R6V
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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120202-71-3
Created by
admin on Wed Apr 02 14:03:37 GMT 2025 , Edited by admin on Wed Apr 02 14:03:37 GMT 2025
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1140600
Created by
admin on Wed Apr 02 14:03:37 GMT 2025 , Edited by admin on Wed Apr 02 14:03:37 GMT 2025
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39KXS67R6V
Created by
admin on Wed Apr 02 14:03:37 GMT 2025 , Edited by admin on Wed Apr 02 14:03:37 GMT 2025
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10002188
Created by
admin on Wed Apr 02 14:03:37 GMT 2025 , Edited by admin on Wed Apr 02 14:03:37 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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ENANTIOMER -> ENANTIOMER |
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