AB74207
76824-35-6 | 3-[({2-[(diaminomethylidene)amino]-1,3-thiazol-4-yl}methyl)sulfanyl]-N-sulfamoylpropanimidamide
Manufacturer: A2B Chem
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CatalogNumber
AB74207
ChemicalName
3-[({2-[(diaminomethylidene)amino]-1,3-thiazol-4-yl}methyl)sulfanyl]-N-sulfamoylpropanimidamide
CasNumber
76824-35-6
MolecularFormula
C8H15N7O2S3
MolecularWeight
337.4454
MdlNumber
MFCD00075320
Smiles
N=C(NS(=O)(=O)N)CCSCc1csc(n1)NC(=N)N
Complexity
469
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
4
RotatableBondCount
7
Xlogp3
-0.6
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CatalogNumber: AB74207
ChemicalName: 3-[({2-[(diaminomethylidene)amino]-1,3-thiazol-4-yl}methyl)sulfanyl]-N-sulfamoylpropanimidamide
CasNumber: 76824-35-6
MolecularFormula: C8H15N7O2S3
MolecularWeight: 337.4454
MdlNumber: MFCD00075320
Smiles: N=C(NS(=O)(=O)N)CCSCc1csc(n1)NC(=N)N
Complexity: 469
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 4
RotatableBondCount: 7
Xlogp3: -0.6
CatalogNumber:
AB74207
ChemicalName:
3-[({2-[(diaminomethylidene)amino]-1,3-thiazol-4-yl}methyl)sulfanyl]-N-sulfamoylpropanimidamide
CasNumber:
76824-35-6
MolecularFormula:
C8H15N7O2S3
MolecularWeight:
337.4454
MdlNumber:
MFCD00075320
Smiles:
N=C(NS(=O)(=O)N)CCSCc1csc(n1)NC(=N)N
Complexity:
469
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
4
RotatableBondCount:
7
Xlogp3:
-0.6
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Smiles: O=C/C=C(/CC/C=C(/CC/C=C(\C)/C)\C)\C
Complexity: __
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HydrogenBondAcceptorCount: __
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Smiles:
O=C/C=C(/CC/C=C(/CC/C=C(\C)/C)\C)\C
Complexity:
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DefinedBondStereocenterCount:
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HeavyAtomCount:
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RotatableBondCount:
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Smiles: CC(=CCCC(=CCCC(=O)C)C)CCC=C(C)C
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CasNumber:
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Smiles:
CC(=CCCC(=CCCC(=O)C)C)CCC=C(C)C
Complexity:
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Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: COc1cc([N+]#N)c(cc1N=Nc1ccc(cc1)[N+](=O)[O-])OC.COc1cc([N+]#N)c(cc1N=Nc1ccc(cc1)[N+](=O)[O-])OC.Cl[Zn]Cl.[Cl-].[Cl-]
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc([N+]#N)c(cc1N=Nc1ccc(cc1)[N+](=O)[O-])OC.COc1cc([N+]#N)c(cc1N=Nc1ccc(cc1)[N+](=O)[O-])OC.Cl[Zn]Cl.[Cl-].[Cl-]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__