AD55382
25660-71-3 | 2-Benzylthio-5-amino-1,3,4-thiadiazole
Manufacturer: A2B Chem
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CatalogNumber
AD55382
ChemicalName
2-Benzylthio-5-amino-1,3,4-thiadiazole
CasNumber
25660-71-3
MolecularFormula
C9H9N3S2
MolecularWeight
223.3179
MdlNumber
MFCD00184237
Smiles
Nc1nnc(s1)SCc1ccccc1
NscNumber
204491
Complexity
173
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.4
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CatalogNumber: AD55382
ChemicalName: 2-Benzylthio-5-amino-1,3,4-thiadiazole
CasNumber: 25660-71-3
MolecularFormula: C9H9N3S2
MolecularWeight: 223.3179
MdlNumber: MFCD00184237
Smiles: Nc1nnc(s1)SCc1ccccc1
NscNumber: 204491
Complexity: 173
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.4
CatalogNumber:
AD55382
ChemicalName:
2-Benzylthio-5-amino-1,3,4-thiadiazole
CasNumber:
25660-71-3
MolecularFormula:
C9H9N3S2
MolecularWeight:
223.3179
MdlNumber:
MFCD00184237
Smiles:
Nc1nnc(s1)SCc1ccccc1
NscNumber:
204491
Complexity:
173
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.4
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Smiles: COC(=O)c1ccnc(c1)C(=O)OC
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
COC(=O)c1ccnc(c1)C(=O)OC
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Smiles: O=C1CC(=O)N(C(=O)N1)C
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Xlogp3: __
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Smiles:
O=C1CC(=O)N(C(=O)N1)C
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Complexity:
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Covalently-bondedUnitCount:
__
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: CCOC(=O)/C=C1/CCCCN1
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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:
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MdlNumber:
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Smiles:
CCOC(=O)/C=C1/CCCCN1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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