Details
| Stereochemistry | RACEMIC |
| Molecular Formula | 2C6H12NO3S.Ca |
| Molecular Weight | 396.537 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ca++].CSCCC(NCO)C([O-])=O.CSCCC(NCO)C([O-])=O
InChI
InChIKey=NWNPLGLJNZEMTE-UHFFFAOYSA-L
InChI=1S/2C6H13NO3S.Ca/c2*1-11-3-2-5(6(9)10)7-4-8;/h2*5,7-8H,2-4H2,1H3,(H,9,10);/q;;+2/p-2
| Molecular Formula | C6H12NO3S |
| Molecular Weight | 178.229 |
| Charge | -1 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
| Molecular Formula | Ca |
| Molecular Weight | 40.078 |
| Charge | 2 |
| 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
Mon Mar 31 21:55:13 GMT 2025
by
admin
on
Mon Mar 31 21:55:13 GMT 2025
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| Record UNII |
I9A0U04D6I
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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DTXSID40967345
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6452742
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I9A0U04D6I
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258-235-1
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52886-07-4
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admin on Mon Mar 31 21:55:13 GMT 2025 , Edited by admin on Mon Mar 31 21:55:13 GMT 2025
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