AB65638
66298-09-7 | 4-(2,4-Dimethylphenyl)-3-thiosemicarbazide
Manufacturer: A2B Chem
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CatalogNumber
AB65638
ChemicalName
4-(2,4-Dimethylphenyl)-3-thiosemicarbazide
CasNumber
66298-09-7
MolecularFormula
C9H13N3S
MolecularWeight
195.2846
MdlNumber
MFCD00041279
Smiles
NNC(=S)Nc1ccc(cc1C)C
Complexity
184
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
3
RotatableBondCount
1
Xlogp3
1.1
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CatalogNumber: AB65638
ChemicalName: 4-(2,4-Dimethylphenyl)-3-thiosemicarbazide
CasNumber: 66298-09-7
MolecularFormula: C9H13N3S
MolecularWeight: 195.2846
MdlNumber: MFCD00041279
Smiles: NNC(=S)Nc1ccc(cc1C)C
Complexity: 184
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 3
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AB65638
ChemicalName:
4-(2,4-Dimethylphenyl)-3-thiosemicarbazide
CasNumber:
66298-09-7
MolecularFormula:
C9H13N3S
MolecularWeight:
195.2846
MdlNumber:
MFCD00041279
Smiles:
NNC(=S)Nc1ccc(cc1C)C
Complexity:
184
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
3
RotatableBondCount:
1
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC(c1cc(ccc1OCCCC(=O)O)C(CC)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC(c1cc(ccc1OCCCC(=O)O)C(CC)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1CCCC(=O)O)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1CCCC(=O)O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1OC(=O)C(C1)C1CC2C(=O)OC(=O)C2c2c1cccc2
Complexity: 567
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1OC(=O)C(C1)C1CC2C(=O)OC(=O)C2c2c1cccc2
Complexity:
567
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.8