AA88295
16563-14-7 | 4-Cyano-3-tetrahydrothiophenone
Manufacturer: A2B Chem
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CatalogNumber
AA88295
ChemicalName
4-Cyano-3-tetrahydrothiophenone
CasNumber
16563-14-7
MolecularFormula
C5H5NOS
MolecularWeight
127.1643
MdlNumber
MFCD00059049
Smiles
C1SCC(=O)C1C#N
NscNumber
298357
Complexity
157
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
0.4
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CatalogNumber: AA88295
ChemicalName: 4-Cyano-3-tetrahydrothiophenone
CasNumber: 16563-14-7
MolecularFormula: C5H5NOS
MolecularWeight: 127.1643
MdlNumber: MFCD00059049
Smiles: C1SCC(=O)C1C#N
NscNumber: 298357
Complexity: 157
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.4
CatalogNumber:
AA88295
ChemicalName:
4-Cyano-3-tetrahydrothiophenone
CasNumber:
16563-14-7
MolecularFormula:
C5H5NOS
MolecularWeight:
127.1643
MdlNumber:
MFCD00059049
Smiles:
C1SCC(=O)C1C#N
NscNumber:
298357
Complexity:
157
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
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Smiles: Clc1ccc(cc1)Nc1scc(n1)C(=O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
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Smiles:
Clc1ccc(cc1)Nc1scc(n1)C(=O)O
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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UndefinedAtomStereocenterCount:
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Smiles: Brc1ccc(cc1)Nc1scc(n1)C(=O)O
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Smiles:
Brc1ccc(cc1)Nc1scc(n1)C(=O)O
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
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Smiles: CCCCCCCCCCCCCCCCCC[n+]1ccc(cc1)C=CC=Cc1ccccc1.[Br-]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
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UndefinedAtomStereocenterCount: __
Xlogp3: __
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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:
CCCCCCCCCCCCCCCCCC[n+]1ccc(cc1)C=CC=Cc1ccccc1.[Br-]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__