AB23691
23530-64-5 | 2,3-Dimethyl-4-thiocyanatoaniline
Manufacturer: A2B Chem
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CatalogNumber
AB23691
ChemicalName
2,3-Dimethyl-4-thiocyanatoaniline
CasNumber
23530-64-5
MolecularFormula
C9H10N2S
MolecularWeight
178.2541
MdlNumber
MFCD11855820
Smiles
N#CSc1ccc(c(c1C)C)N
Complexity
196
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.5
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CatalogNumber: AB23691
ChemicalName: 2,3-Dimethyl-4-thiocyanatoaniline
CasNumber: 23530-64-5
MolecularFormula: C9H10N2S
MolecularWeight: 178.2541
MdlNumber: MFCD11855820
Smiles: N#CSc1ccc(c(c1C)C)N
Complexity: 196
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.5
CatalogNumber:
AB23691
ChemicalName:
2,3-Dimethyl-4-thiocyanatoaniline
CasNumber:
23530-64-5
MolecularFormula:
C9H10N2S
MolecularWeight:
178.2541
MdlNumber:
MFCD11855820
Smiles:
N#CSc1ccc(c(c1C)C)N
Complexity:
196
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.5
CatalogNumber: AB23692
ChemicalName: N-Isopropyl-4-nitrobenzenesulfonamide
CasNumber: 23530-48-5
MolecularFormula: C9H12N2O4S
MolecularWeight: 244.2676
MdlNumber: MFCD00458973
Smiles: CC(NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])C
Complexity: 334
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AB23692
ChemicalName:
N-Isopropyl-4-nitrobenzenesulfonamide
CasNumber:
23530-48-5
MolecularFormula:
C9H12N2O4S
MolecularWeight:
244.2676
MdlNumber:
MFCD00458973
Smiles:
CC(NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])C
Complexity:
334
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.5
CatalogNumber: AB23693
ChemicalName: 4-Nitro-n-propyl-benzenesulfonamide
CasNumber: 23530-47-4
MolecularFormula: C9H12N2O4S
MolecularWeight: 244.2676
MdlNumber: MFCD00514616
Smiles: CCCNS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
Complexity: 322
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.6
CatalogNumber:
AB23693
ChemicalName:
4-Nitro-n-propyl-benzenesulfonamide
CasNumber:
23530-47-4
MolecularFormula:
C9H12N2O4S
MolecularWeight:
244.2676
MdlNumber:
MFCD00514616
Smiles:
CCCNS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
Complexity:
322
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.6
CatalogNumber: AB23694
ChemicalName: N,N-Dimethyl-2-nitrobenzenesulfonamide
CasNumber: 23530-43-0
MolecularFormula: C8H10N2O4S
MolecularWeight: 230.241
MdlNumber: MFCD00099101
Smiles: [O-][N+](=O)c1ccccc1S(=O)(=O)N(C)C
Complexity: 328
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 0.9
CatalogNumber:
AB23694
ChemicalName:
N,N-Dimethyl-2-nitrobenzenesulfonamide
CasNumber:
23530-43-0
MolecularFormula:
C8H10N2O4S
MolecularWeight:
230.241
MdlNumber:
MFCD00099101
Smiles:
[O-][N+](=O)c1ccccc1S(=O)(=O)N(C)C
Complexity:
328
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
0.9