AI38678
1692539-76-6 | 2-(BOC-Amino)-5-methyl-1,3,4-thiadiazole
Manufacturer: A2B Chem
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CatalogNumber
AI38678
ChemicalName
2-(BOC-Amino)-5-methyl-1,3,4-thiadiazole
CasNumber
1692539-76-6
MolecularFormula
C8H13N3O2S
MolecularWeight
215.2727
MdlNumber
MFCD26940380
Smiles
O=C(OC(C)(C)C)Nc1nnc(s1)C
Complexity
217
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.7
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CatalogNumber: AI38678
ChemicalName: 2-(BOC-Amino)-5-methyl-1,3,4-thiadiazole
CasNumber: 1692539-76-6
MolecularFormula: C8H13N3O2S
MolecularWeight: 215.2727
MdlNumber: MFCD26940380
Smiles: O=C(OC(C)(C)C)Nc1nnc(s1)C
Complexity: 217
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.7
CatalogNumber:
AI38678
ChemicalName:
2-(BOC-Amino)-5-methyl-1,3,4-thiadiazole
CasNumber:
1692539-76-6
MolecularFormula:
C8H13N3O2S
MolecularWeight:
215.2727
MdlNumber:
MFCD26940380
Smiles:
O=C(OC(C)(C)C)Nc1nnc(s1)C
Complexity:
217
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: Ic1cc(C(C)C)c(c(c1)C(C)C)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Ic1cc(C(C)C)c(c(c1)C(C)C)O
Complexity:
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HydrogenBondAcceptorCount:
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Smiles: COc1cccc2c1nc(N)nc2O
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Smiles:
COc1cccc2c1nc(N)nc2O
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RotatableBondCount:
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Smiles: [O-]C(=O)Cn1nnc2c1cccc2.[Na+]
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
[O-]C(=O)Cn1nnc2c1cccc2.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__