AE06083
74631-35-9 | 2-Methylthio-5-nitrobenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AE06083
ChemicalName
2-Methylthio-5-nitrobenzonitrile
CasNumber
74631-35-9
MolecularFormula
C8H6N2O2S
MolecularWeight
194.2104
MdlNumber
MFCD09475845
Smiles
N#Cc1cc(ccc1SC)[N+](=O)[O-]
Complexity
242
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
1
Xlogp3
2
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CatalogNumber: AE06083
ChemicalName: 2-Methylthio-5-nitrobenzonitrile
CasNumber: 74631-35-9
MolecularFormula: C8H6N2O2S
MolecularWeight: 194.2104
MdlNumber: MFCD09475845
Smiles: N#Cc1cc(ccc1SC)[N+](=O)[O-]
Complexity: 242
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AE06083
ChemicalName:
2-Methylthio-5-nitrobenzonitrile
CasNumber:
74631-35-9
MolecularFormula:
C8H6N2O2S
MolecularWeight:
194.2104
MdlNumber:
MFCD09475845
Smiles:
N#Cc1cc(ccc1SC)[N+](=O)[O-]
Complexity:
242
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
2
CatalogNumber: AE06088
ChemicalName: 1H-Indazole-5-carbonitrile
CasNumber: 74626-47-4
MolecularFormula: C8H5N3
MolecularWeight: 143.1454
MdlNumber: MFCD04973397
Smiles: N#Cc1ccc2c(c1)cn[nH]2
Complexity: 193
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
AE06088
ChemicalName:
1H-Indazole-5-carbonitrile
CasNumber:
74626-47-4
MolecularFormula:
C8H5N3
MolecularWeight:
143.1454
MdlNumber:
MFCD04973397
Smiles:
N#Cc1ccc2c(c1)cn[nH]2
Complexity:
193
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
RotatableBondCount:
__
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccccc1)OC(C(C(OC(=O)c1ccccc1)COC(=O)c1ccccc1)OC(=O)c1ccccc1)C(OC(=O)c1ccccc1)COC(=O)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccccc1)OC(C(C(OC(=O)c1ccccc1)COC(=O)c1ccccc1)OC(=O)c1ccccc1)C(OC(=O)c1ccccc1)COC(=O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCNC(=O)c1ccccc1O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCNC(=O)c1ccccc1O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__