AB22122
23153-09-5 | 4-(Methylsulfanyl)-2-nitroaniline
Manufacturer: A2B Chem
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CatalogNumber
AB22122
ChemicalName
4-(Methylsulfanyl)-2-nitroaniline
CasNumber
23153-09-5
MolecularFormula
C7H8N2O2S
MolecularWeight
184.2156
MdlNumber
MFCD10568171
Smiles
CSc1ccc(c(c1)[N+](=O)[O-])N
Complexity
171
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.7
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CatalogNumber: AB22122
ChemicalName: 4-(Methylsulfanyl)-2-nitroaniline
CasNumber: 23153-09-5
MolecularFormula: C7H8N2O2S
MolecularWeight: 184.2156
MdlNumber: MFCD10568171
Smiles: CSc1ccc(c(c1)[N+](=O)[O-])N
Complexity: 171
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AB22122
ChemicalName:
4-(Methylsulfanyl)-2-nitroaniline
CasNumber:
23153-09-5
MolecularFormula:
C7H8N2O2S
MolecularWeight:
184.2156
MdlNumber:
MFCD10568171
Smiles:
CSc1ccc(c(c1)[N+](=O)[O-])N
Complexity:
171
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.7
CatalogNumber: AB22123
ChemicalName: 4'-Isopropylphenyl acetylene
CasNumber: 23152-99-0
MolecularFormula: C11H12
MolecularWeight: 144.213
MdlNumber: MFCD03839988
Smiles: C#Cc1ccc(cc1)C(C)C
Complexity: 150
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 4
CatalogNumber:
AB22123
ChemicalName:
4'-Isopropylphenyl acetylene
CasNumber:
23152-99-0
MolecularFormula:
C11H12
MolecularWeight:
144.213
MdlNumber:
MFCD03839988
Smiles:
C#Cc1ccc(cc1)C(C)C
Complexity:
150
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: S=c1o[nH]c(n1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
S=c1o[nH]c(n1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)CC[C@@H](C(=O)OC)N.Cl
Complexity: 169
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)CC[C@@H](C(=O)OC)N.Cl
Complexity:
169
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__