Details
Stereochemistry | ACHIRAL |
Molecular Formula | C8H12N2.2CH4O3S |
Molecular Weight | 328.406 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.CS(O)(=O)=O.CNCCC1=CC=CC=N1
InChI
InChIKey=ZBJJDYGJCNTNTH-UHFFFAOYSA-N
InChI=1S/C8H12N2.2CH4O3S/c1-9-7-5-8-4-2-3-6-10-8;2*1-5(2,3)4/h2-4,6,9H,5,7H2,1H3;2*1H3,(H,2,3,4)
Molecular Formula | C8H12N2 |
Molecular Weight | 136.1943 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
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
Fri Dec 15 17:47:11 UTC 2023
by
admin
on
Fri Dec 15 17:47:11 UTC 2023
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Record UNII |
X1L0E3R43Y
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Record Status |
Validated (UNII)
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Record Version |
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-
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SUB00773MIG
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CHEMBL24441
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259-377-7
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71468
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198334
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DTXSID1045588
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100000092124
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X1L0E3R43Y
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54856-23-4
Created by
admin on Fri Dec 15 17:47:11 UTC 2023 , Edited by admin on Fri Dec 15 17:47:11 UTC 2023
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