AF86876
3912-37-6 | Isothiazole-4-carbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AF86876
ChemicalName
Isothiazole-4-carbonitrile
CasNumber
3912-37-6
MolecularFormula
C4H2N2S
MolecularWeight
110.1371
MdlNumber
MFCD00046084
Smiles
N#Cc1csnc1
NscNumber
625191
Complexity
104
Covalently-bondedUnitCount
1
HeavyAtomCount
7
HydrogenBondAcceptorCount
3
Xlogp3
0.7
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CatalogNumber: AF86876
ChemicalName: Isothiazole-4-carbonitrile
CasNumber: 3912-37-6
MolecularFormula: C4H2N2S
MolecularWeight: 110.1371
MdlNumber: MFCD00046084
Smiles: N#Cc1csnc1
NscNumber: 625191
Complexity: 104
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 3
Xlogp3: 0.7
CatalogNumber:
AF86876
ChemicalName:
Isothiazole-4-carbonitrile
CasNumber:
3912-37-6
MolecularFormula:
C4H2N2S
MolecularWeight:
110.1371
MdlNumber:
MFCD00046084
Smiles:
N#Cc1csnc1
NscNumber:
625191
Complexity:
104
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
3
Xlogp3:
0.7
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Smiles: O=CCN(C(=O)OC(C)(C)C)CC
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Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
O=CCN(C(=O)OC(C)(C)C)CC
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
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Smiles: O=C(N1CCCC1c1cccc(c1)C(=O)O)OC(C)(C)C
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Smiles:
O=C(N1CCCC1c1cccc(c1)C(=O)O)OC(C)(C)C
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Xlogp3:
__
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Smiles: N[C@H]1CC[C@H]2[C@@H]1CCC2.N[C@@H]1CC[C@@H]2[C@H]1CCC2.Cl.Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N[C@H]1CC[C@H]2[C@@H]1CCC2.N[C@@H]1CC[C@@H]2[C@H]1CCC2.Cl.Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
__