AF71342
42182-65-0 | 1,3-Benzothiazol-2-ylmethylamine
Manufacturer: A2B Chem
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CatalogNumber
AF71342
ChemicalName
1,3-Benzothiazol-2-ylmethylamine
CasNumber
42182-65-0
MolecularFormula
C8H8N2S
MolecularWeight
164.2275
MdlNumber
MFCD06660504
Smiles
NCc1nc2c(s1)cccc2
NscNumber
509752
Complexity
140
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.5
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CatalogNumber: AF71342
ChemicalName: 1,3-Benzothiazol-2-ylmethylamine
CasNumber: 42182-65-0
MolecularFormula: C8H8N2S
MolecularWeight: 164.2275
MdlNumber: MFCD06660504
Smiles: NCc1nc2c(s1)cccc2
NscNumber: 509752
Complexity: 140
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.5
CatalogNumber:
AF71342
ChemicalName:
1,3-Benzothiazol-2-ylmethylamine
CasNumber:
42182-65-0
MolecularFormula:
C8H8N2S
MolecularWeight:
164.2275
MdlNumber:
MFCD06660504
Smiles:
NCc1nc2c(s1)cccc2
NscNumber:
509752
Complexity:
140
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.5
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Smiles: OC(=O)c1nn(c2c1CCCC2)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
OC(=O)c1nn(c2c1CCCC2)C
NscNumber:
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Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: O=C(Nc1ccc2c3c1ccc1c3c(cc2)ccc1)CCSS(=O)(=O)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
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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:
O=C(Nc1ccc2c3c1ccc1c3c(cc2)ccc1)CCSS(=O)(=O)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: Fc1ccc(cc1)C(=O)c1cccc(c1)I
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Fc1ccc(cc1)C(=O)c1cccc(c1)I
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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