AB17282
206761-70-8 | 4-(3,4-Methylenedioxybenzyl)-3-thiosemicarbazide
Manufacturer: A2B Chem
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CatalogNumber
AB17282
ChemicalName
4-(3,4-Methylenedioxybenzyl)-3-thiosemicarbazide
CasNumber
206761-70-8
MolecularFormula
C9H11N3O2S
MolecularWeight
225.2675
MdlNumber
MFCD00060506
Smiles
NNC(=S)NCc1ccc2c(c1)OCO2
Complexity
239
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
2
Xlogp3
0.7
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CatalogNumber: AB17282
ChemicalName: 4-(3,4-Methylenedioxybenzyl)-3-thiosemicarbazide
CasNumber: 206761-70-8
MolecularFormula: C9H11N3O2S
MolecularWeight: 225.2675
MdlNumber: MFCD00060506
Smiles: NNC(=S)NCc1ccc2c(c1)OCO2
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: 0.7
CatalogNumber:
AB17282
ChemicalName:
4-(3,4-Methylenedioxybenzyl)-3-thiosemicarbazide
CasNumber:
206761-70-8
MolecularFormula:
C9H11N3O2S
MolecularWeight:
225.2675
MdlNumber:
MFCD00060506
Smiles:
NNC(=S)NCc1ccc2c(c1)OCO2
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
0.7
CatalogNumber: __
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Smiles: S=C=Nc1ccc(c(c1)Cl)Cc1ccc(cc1Cl)N=C=S
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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Smiles:
S=C=Nc1ccc(c(c1)Cl)Cc1ccc(cc1Cl)N=C=S
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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MolecularFormula: __
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Smiles: S=C=Nc1cc(ccc1OC)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
S=C=Nc1cc(ccc1OC)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: O[C@H]([C@H](C(=O)O)O)C(=O)Nc1ccc(cc1)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@H]([C@H](C(=O)O)O)C(=O)Nc1ccc(cc1)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__