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Reference substances

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IUPAC name:
N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexanamine

Inventory

EC number:
202-411-2
EC name:
N-cyclohexylbenzothiazole-2-sulfenamide
CAS number:
95-33-0
CAS number:
95-33-0
Synonyms
Names:
2-Benzothiazolesulfenamide, N-cyclohexyl-
Identifier:
other: SMILES notation
C1CCC(CC1)NSC1=NC2=C(S1)C=CC=C2
Identifier:
other: SMILES notation
C1CCC(CC1)NSC2=NC3=CC=CC=C3S2
Identifier:
other: InChl
InChI=1/C13H16N2S2/c1-2-6-10(7-3-1)15-17-13-14-11-8-4-5-9-12(11)16-13/h4-5,8-10,15H,1-3,6- 7H2
Identifier:
other: InChl
InChI=1S/C13H16N2S2/c1-2-6-10(7-3-1)15-17-13-14-11-8-4-5-9-12(11)16-13/ h4-5,8-10,15H,1-3,6-7H2
Identifier:
other: InChl
InChI=1S/C13H16N2S2/c1-2-6-10(7-3-1)15-17-13-14-11-8-4-5-9-12(11)16-13/h4-5,8-10,15H,1-3,6-7H2
Identifier:
other: SMILES notation
c1cccc2sc(nc12)SNC3CCCCC3
N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexanamine

Molecular and structural information

Molecular formula:
C13H16N2S2
Molecular weight:
264.409
SMILES notation:
C1CCC(CC1)NSc2nc3ccccc3s2
InChl:
InChI=1/C13H16N2S2/c1-2-6-10(7-3-1)15-17-13-14-11-8-4-5-9-12(11)16-13/h4-5,8-10,15H,1-3,6-7H2
Structural formula:
Chemical structure

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