AI47084
306980-70-1 | 5-Amino-2-(methylsulfanyl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI47084
ChemicalName
5-Amino-2-(methylsulfanyl)benzonitrile
CasNumber
306980-70-1
MolecularFormula
C8H8N2S
MolecularWeight
164.2275
MdlNumber
MFCD01315282
Smiles
N#Cc1cc(N)ccc1SC
Complexity
172
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.5
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CatalogNumber: AI47084
ChemicalName: 5-Amino-2-(methylsulfanyl)benzonitrile
CasNumber: 306980-70-1
MolecularFormula: C8H8N2S
MolecularWeight: 164.2275
MdlNumber: MFCD01315282
Smiles: N#Cc1cc(N)ccc1SC
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.5
CatalogNumber:
AI47084
ChemicalName:
5-Amino-2-(methylsulfanyl)benzonitrile
CasNumber:
306980-70-1
MolecularFormula:
C8H8N2S
MolecularWeight:
164.2275
MdlNumber:
MFCD01315282
Smiles:
N#Cc1cc(N)ccc1SC
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.5
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Smiles: COc1ccc2c(c1)NC(C1=C2C2(SC(=C(S2)C(=O)OC)C(=O)OC)C(=C(S1)C(=O)OC)C(=O)OC)(C)C
Complexity: __
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HydrogenBondAcceptorCount: __
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Smiles:
COc1ccc2c(c1)NC(C1=C2C2(SC(=C(S2)C(=O)OC)C(=O)OC)C(=C(S1)C(=O)OC)C(=O)OC)(C)C
Complexity:
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RotatableBondCount:
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Smiles: OC(=O)CCc1[nH]c(=O)c2c(n1)n(nc2)c1ccccc1
Complexity: __
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Smiles:
OC(=O)CCc1[nH]c(=O)c2c(n1)n(nc2)c1ccccc1
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RotatableBondCount:
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Smiles: O=C(C12CC3CC(C2)CC(C1)C3)Nc1cccc(c1)C(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(C12CC3CC(C2)CC(C1)C3)Nc1cccc(c1)C(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__