AI54302
64224-21-1 | 4-Methyl-5-(pyrazin-2-yl)-3H-1,2-dithiole-3-thione
Manufacturer: A2B Chem
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CatalogNumber
AI54302
ChemicalName
4-Methyl-5-(pyrazin-2-yl)-3H-1,2-dithiole-3-thione
CasNumber
64224-21-1
MolecularFormula
C8H6N2S3
MolecularWeight
226.3416
MdlNumber
MFCD00868499
Smiles
S=c1ssc(c1C)c1cnccn1
Complexity
262
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
RotatableBondCount
1
Xlogp3
1.1
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CatalogNumber: AI54302
ChemicalName: 4-Methyl-5-(pyrazin-2-yl)-3H-1,2-dithiole-3-thione
CasNumber: 64224-21-1
MolecularFormula: C8H6N2S3
MolecularWeight: 226.3416
MdlNumber: MFCD00868499
Smiles: S=c1ssc(c1C)c1cnccn1
Complexity: 262
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AI54302
ChemicalName:
4-Methyl-5-(pyrazin-2-yl)-3H-1,2-dithiole-3-thione
CasNumber:
64224-21-1
MolecularFormula:
C8H6N2S3
MolecularWeight:
226.3416
MdlNumber:
MFCD00868499
Smiles:
S=c1ssc(c1C)c1cnccn1
Complexity:
262
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
Xlogp3:
1.1
CatalogNumber: __
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MolecularFormula: __
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Smiles: CCOP(=O)(COCC=C)OCC
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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Smiles:
CCOP(=O)(COCC=C)OCC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: OC(=O)C(=O)O.OC(=O)C(=O)O.COc1cc2c(cc1OC)CCN(C2Cc1ccc(c(c1)OC)OC)CCC(=O)OCCCCCOC(=O)CCN1CCc2c(C1Cc1ccc(c(c1)OC)OC)cc(c(c2)OC)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
OC(=O)C(=O)O.OC(=O)C(=O)O.COc1cc2c(cc1OC)CCN(C2Cc1ccc(c(c1)OC)OC)CCC(=O)OCCCCCOC(=O)CCN1CCc2c(C1Cc1ccc(c(c1)OC)OC)cc(c(c2)OC)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: N#Cc1ccc2c(c1)c(=O)cc[nH]2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1ccc2c(c1)c(=O)cc[nH]2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__