AG25449
53068-24-9 | 4-(3,4-Dimethoxyphenethyl)-3-thiosemicarbazide
Manufacturer: A2B Chem
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CatalogNumber
AG25449
ChemicalName
4-(3,4-Dimethoxyphenethyl)-3-thiosemicarbazide
CasNumber
53068-24-9
MolecularFormula
C11H17N3O2S
MolecularWeight
255.3366
MdlNumber
MFCD00041305
Smiles
NNC(=S)NCCc1ccc(c(c1)OC)OC
NscNumber
176360
Complexity
241
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
5
Xlogp3
0.7
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CatalogNumber: AG25449
ChemicalName: 4-(3,4-Dimethoxyphenethyl)-3-thiosemicarbazide
CasNumber: 53068-24-9
MolecularFormula: C11H17N3O2S
MolecularWeight: 255.3366
MdlNumber: MFCD00041305
Smiles: NNC(=S)NCCc1ccc(c(c1)OC)OC
NscNumber: 176360
Complexity: 241
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 5
Xlogp3: 0.7
CatalogNumber:
AG25449
ChemicalName:
4-(3,4-Dimethoxyphenethyl)-3-thiosemicarbazide
CasNumber:
53068-24-9
MolecularFormula:
C11H17N3O2S
MolecularWeight:
255.3366
MdlNumber:
MFCD00041305
Smiles:
NNC(=S)NCCc1ccc(c(c1)OC)OC
NscNumber:
176360
Complexity:
241
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
5
Xlogp3:
0.7
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Smiles: CCOC(=O)CCN(CC)CC
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CCOC(=O)CCN(CC)CC
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Smiles: OP(=O)(Cc1cccc2c1cccc2)O
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Smiles:
OP(=O)(Cc1cccc2c1cccc2)O
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CCCN1C(=O)c2c(C1=O)cccc2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CCCN1C(=O)c2c(C1=O)cccc2
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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