AA81352
15884-65-8 | 1,3-Benzodioxole-5-carbothioamide
Manufacturer: A2B Chem
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CatalogNumber
AA81352
ChemicalName
1,3-Benzodioxole-5-carbothioamide
CasNumber
15884-65-8
MolecularFormula
C8H7NO2S
MolecularWeight
181.21168
MdlNumber
MFCD02677739
Smiles
NC(=S)c1ccc2c(c1)OCO2
Complexity
198
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.1
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CatalogNumber: AA81352
ChemicalName: 1,3-Benzodioxole-5-carbothioamide
CasNumber: 15884-65-8
MolecularFormula: C8H7NO2S
MolecularWeight: 181.21168
MdlNumber: MFCD02677739
Smiles: NC(=S)c1ccc2c(c1)OCO2
Complexity: 198
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AA81352
ChemicalName:
1,3-Benzodioxole-5-carbothioamide
CasNumber:
15884-65-8
MolecularFormula:
C8H7NO2S
MolecularWeight:
181.21168
MdlNumber:
MFCD02677739
Smiles:
NC(=S)c1ccc2c(c1)OCO2
Complexity:
198
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cc(ccc1NN=C1c2ccccc2-c2c1cccc2)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
[O-][N+](=O)c1cc(ccc1NN=C1c2ccccc2-c2c1cccc2)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1c[nH]nc1C(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Cc1c[nH]nc1C(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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MdlNumber: __
Smiles: BrCc1ccc(nc1)OC.Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCc1ccc(nc1)OC.Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__