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Details

Stereochemistry RACEMIC
Molecular Formula C13H23N3S.2ClH
Molecular Weight 326.329
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N<SUP>6</SUP>,N<SUP>6</SUP>-dipropyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine dihydrochloride

SMILES

Cl.Cl.CCCN(CCC)C1CCC2=C(C1)SC(N)=N2

InChI

InChIKey=CUOWNUGKRMCBBG-UHFFFAOYSA-N
InChI=1S/C13H23N3S.2ClH/c1-3-7-16(8-4-2)10-5-6-11-12(9-10)17-13(14)15-11;;/h10H,3-9H2,1-2H3,(H2,14,15);2*1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C13H23N3S
Molecular Weight 253.407
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
S99N7N7WA4
Record Status Validated (UNII)
Record Version