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Reference substances

Reference substances

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General information

Inventory

EC number:
298-265-2
EC name:
5-(diisopropylamino)-2-[[4-(dimethylamino)phenyl]azo]-3-methyl-1,3,4-thiadiazolium trichlorozincate(1-)
CAS number:
93783-70-1

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Reference substance information

IUPAC name:
4-{2-[(2E)-5-[bis(propan-2-yl)amino]-3-methyl-2,3-dihydro-1,3,4-thiadiazol-2-ylidene]hydrazin-1-ylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium; trichlorozincuide
Synonyms
Names:
1,3,4-Thiadiazolium, 5-[bis(1-methylethyl)amino] -2-[[4-(dimethylamino)phenyl]azo]-3-methyl-, trichlorozincate(1-)
Identifier:
CAS number
93783-70-1
Identifier:
IUPAC name
5-(diisopropylamino)-2-[[4-(dimethylamino)phenyl]azo]-3-methyl-1,3,4-thiadiazolium trichlorozincate(1-)
Identifier:
IUPAC name
5-(diisopropylamino)-2-{[4-(dimethylamino)phenyl]diazenyl}-3-methyl-1,3,4-thiadiazol-3-ium trichlorozincate(1-)
Identifier:
other: SMILES notation
C[n+]2nc(sc2N=Nc1ccc(cc1)N(C)C)N(C(C)C)C(C)C.Cl[Zn-](Cl)Cl
Identifier:
other: InChl
InChI=1/C17H27N6S.3ClH.Zn/c1-12(2)23(13(3)4)17-20-22(7)16(24-17)19-18-14-8-10-15(11-9-14)21(5)6;;;;/h8-13H,1-7H3;3*1H;/q+1;;;;+2/p-3/rC17H27N6S.Cl3Zn/c1-12(2)23(13(3)4)17-20-22(7)16(24-17)19-18-14-8-10-15(11-9-14)21(5)6;1-4(2)3/h8-13H,1-7H3;/q+1;-1
5(E)-5-(diisopropylamino)-2-((4-dimethylamino)phenyl)diazenyl)-3-methyl-1,3,4-thiadiazol-3-ium trichlorozincate(1-)

CAS information

CAS number:
93783-70-1

Molecular and structural information

Molecular formula:
C17H27N6S.Cl3Zn
Molecular weight:
ca. 519.25
SMILES notation:
C[n+]2nc(sc2/N=N/c1ccc(cc1)N(C)C)N(C(C)C)C(C)C.Cl[Zn-](Cl)Cl
InChl:
InChI=1/C17H27N6S.3ClH.Zn/c1-12(2)23(13(3)4)17-20-22(7)16(24-17)19-18-14-8-10-15(11-9-14)21(5)6;;;;/h8-13H,1-7H3;3*1H;/q+1;;;;+2/p-3
Structural formula:
Chemical structure