AB41973
30931-67-0 | (2Z)-3-ethyl-2-{2-[(2Z)-3-ethyl-6-sulfo-1,3-benzothiazol-2-ylidene]hydrazin-1-ylidene}-1,3-benzothiazole-6-sulfonic acid diamine
Manufacturer: A2B Chem
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CatalogNumber
AB41973
ChemicalName
(2Z)-3-ethyl-2-{2-[(2Z)-3-ethyl-6-sulfo-1,3-benzothiazol-2-ylidene]hydrazin-1-ylidene}-1,3-benzothiazole-6-sulfonic acid diamine
CasNumber
30931-67-0
MolecularFormula
C18H24N6O6S4
MolecularWeight
548.6798
MdlNumber
MFCD00010404
Smiles
CCn1c(=NN=c2sc3c(n2CC)ccc(c3)S(=O)(=O)[O-])sc2c1ccc(c2)S(=O)(=O)[O-].[NH4+].[NH4+]
Complexity
910
Covalently-bondedUnitCount
3
DefinedBondStereocenterCount
2
HeavyAtomCount
34
HydrogenBondAcceptorCount
12
HydrogenBondDonorCount
4
RotatableBondCount
5
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CatalogNumber: AB41973
ChemicalName: (2Z)-3-ethyl-2-{2-[(2Z)-3-ethyl-6-sulfo-1,3-benzothiazol-2-ylidene]hydrazin-1-ylidene}-1,3-benzothiazole-6-sulfonic acid diamine
CasNumber: 30931-67-0
MolecularFormula: C18H24N6O6S4
MolecularWeight: 548.6798
MdlNumber: MFCD00010404
Smiles: CCn1c(=NN=c2sc3c(n2CC)ccc(c3)S(=O)(=O)[O-])sc2c1ccc(c2)S(=O)(=O)[O-].[NH4+].[NH4+]
Complexity: 910
Covalently-bondedUnitCount: 3
DefinedBondStereocenterCount: 2
HeavyAtomCount: 34
HydrogenBondAcceptorCount: 12
HydrogenBondDonorCount: 4
RotatableBondCount: 5
CatalogNumber:
AB41973
ChemicalName:
(2Z)-3-ethyl-2-{2-[(2Z)-3-ethyl-6-sulfo-1,3-benzothiazol-2-ylidene]hydrazin-1-ylidene}-1,3-benzothiazole-6-sulfonic acid diamine
CasNumber:
30931-67-0
MolecularFormula:
C18H24N6O6S4
MolecularWeight:
548.6798
MdlNumber:
MFCD00010404
Smiles:
CCn1c(=NN=c2sc3c(n2CC)ccc(c3)S(=O)(=O)[O-])sc2c1ccc(c2)S(=O)(=O)[O-].[NH4+].[NH4+]
Complexity:
910
Covalently-bondedUnitCount:
3
DefinedBondStereocenterCount:
2
HeavyAtomCount:
34
HydrogenBondAcceptorCount:
12
HydrogenBondDonorCount:
4
RotatableBondCount:
5
CatalogNumber: __
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Smiles: O=C(c1cccs1)OOC(=O)c1cccs1
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__
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Smiles:
O=C(c1cccs1)OOC(=O)c1cccs1
Complexity:
__
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Smiles: N#Cc1cnn(c1N)C1CCCC1
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Smiles:
N#Cc1cnn(c1N)C1CCCC1
Complexity:
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DefinedBondStereocenterCount:
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HeavyAtomCount:
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HydrogenBondDonorCount:
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Smiles: NNC1CCCCC1.Cl
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MdlNumber:
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Smiles:
NNC1CCCCC1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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