AB10098
200933-26-2 | (E)-2-((3-Nitropyridin-2-yl)methylene)hydrazinecarbothioamide
Manufacturer: A2B Chem
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CatalogNumber
AB10098
ChemicalName
(E)-2-((3-Nitropyridin-2-yl)methylene)hydrazinecarbothioamide
CasNumber
200933-26-2
MolecularFormula
C7H7N5O2S
MolecularWeight
225.2278
MdlNumber
MFCD22420461
Smiles
NC(=S)N/N=C/c1ncccc1[N+](=O)[O-]
Complexity
277
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
0.3
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CatalogNumber: AB10098
ChemicalName: (E)-2-((3-Nitropyridin-2-yl)methylene)hydrazinecarbothioamide
CasNumber: 200933-26-2
MolecularFormula: C7H7N5O2S
MolecularWeight: 225.2278
MdlNumber: MFCD22420461
Smiles: NC(=S)N/N=C/c1ncccc1[N+](=O)[O-]
Complexity: 277
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 0.3
CatalogNumber:
AB10098
ChemicalName:
(E)-2-((3-Nitropyridin-2-yl)methylene)hydrazinecarbothioamide
CasNumber:
200933-26-2
MolecularFormula:
C7H7N5O2S
MolecularWeight:
225.2278
MdlNumber:
MFCD22420461
Smiles:
NC(=S)N/N=C/c1ncccc1[N+](=O)[O-]
Complexity:
277
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(S(=O)(=O)[O-])Cc1c[nH]c2c1cccc2.[Na+]
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(S(=O)(=O)[O-])Cc1c[nH]c2c1cccc2.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB10105
ChemicalName: 2-Bromo-4-nitro(trifluoromethoxy)benzene
CasNumber: 200958-40-3
MolecularFormula: C7H3BrF3NO3
MolecularWeight: 286.0028
MdlNumber: MFCD04973758
Smiles: Brc1cc(ccc1OC(F)(F)F)[N+](=O)[O-]
Complexity: 243
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 3.6
CatalogNumber:
AB10105
ChemicalName:
2-Bromo-4-nitro(trifluoromethoxy)benzene
CasNumber:
200958-40-3
MolecularFormula:
C7H3BrF3NO3
MolecularWeight:
286.0028
MdlNumber:
MFCD04973758
Smiles:
Brc1cc(ccc1OC(F)(F)F)[N+](=O)[O-]
Complexity:
243
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3.6