AB53991
111974-74-4 | 11-Piperazinodibenzo[b,f][1,4]thiazepine DiHCl
Manufacturer: A2B Chem
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CatalogNumber
AB53991
ChemicalName
11-Piperazinodibenzo[b,f][1,4]thiazepine DiHCl
CasNumber
111974-74-4
MolecularFormula
C17H19Cl2N3S
MolecularWeight
368.3239
MdlNumber
MFCD08703302
Smiles
N1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2.Cl.Cl
Complexity
392
Covalently-bondedUnitCount
3
HeavyAtomCount
23
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
3
RotatableBondCount
1
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CatalogNumber: AB53991
ChemicalName: 11-Piperazinodibenzo[b,f][1,4]thiazepine DiHCl
CasNumber: 111974-74-4
MolecularFormula: C17H19Cl2N3S
MolecularWeight: 368.3239
MdlNumber: MFCD08703302
Smiles: N1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2.Cl.Cl
Complexity: 392
Covalently-bondedUnitCount: 3
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 1
CatalogNumber:
AB53991
ChemicalName:
11-Piperazinodibenzo[b,f][1,4]thiazepine DiHCl
CasNumber:
111974-74-4
MolecularFormula:
C17H19Cl2N3S
MolecularWeight:
368.3239
MdlNumber:
MFCD08703302
Smiles:
N1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2.Cl.Cl
Complexity:
392
Covalently-bondedUnitCount:
3
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1Cc2c(N1c1c(Cl)cccc1Cl)cccc2
Complexity: 326
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1Cc2c(N1c1c(Cl)cccc1Cl)cccc2
Complexity:
326
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClCCc1ccc(cc1)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCCc1ccc(cc1)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AB53994
ChemicalName: (2-Fluorophenyl)thiourea
CasNumber: 656-32-6
MolecularFormula: C7H7FN2S
MolecularWeight: 170.2073
MdlNumber: MFCD00041148
Smiles: NC(=S)Nc1ccccc1F
Complexity: 151
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
CatalogNumber:
AB53994
ChemicalName:
(2-Fluorophenyl)thiourea
CasNumber:
656-32-6
MolecularFormula:
C7H7FN2S
MolecularWeight:
170.2073
MdlNumber:
MFCD00041148
Smiles:
NC(=S)Nc1ccccc1F
Complexity:
151
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1