Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C12H13N.CH4O3S |
Molecular Weight | 267.344 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.C#CCN[C@H]1CCC2=CC=CC=C12
InChI
InChIKey=JDBJJCWRXSVHOQ-YDALLXLXSA-N
InChI=1S/C12H13N.CH4O3S/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12;1-5(2,3)4/h1,3-6,12-13H,7-9H2;1H3,(H,2,3,4)/t12-;/m0./s1
Molecular Formula | C12H13N |
Molecular Weight | 171.2383 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | CH4O3S |
Molecular Weight | 96.106 |
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
Sat Dec 16 19:51:13 GMT 2023
by
admin
on
Sat Dec 16 19:51:13 GMT 2023
|
Record UNII |
R9GJ62AS2B
|
Record Status |
Validated (UNII)
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Record Version |
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-
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16666423
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R9GJ62AS2B
Created by
admin on Sat Dec 16 19:51:13 GMT 2023 , Edited by admin on Sat Dec 16 19:51:13 GMT 2023
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202464-88-8
Created by
admin on Sat Dec 16 19:51:13 GMT 2023 , Edited by admin on Sat Dec 16 19:51:13 GMT 2023
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PRIMARY |