AB67752
3228-02-2 | 4-Isopropyl-3-methylphenol
Manufacturer: A2B Chem
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CatalogNumber
AB67752
ChemicalName
4-Isopropyl-3-methylphenol
CasNumber
3228-02-2
MolecularFormula
C10H14O
MolecularWeight
150.2176
MdlNumber
MFCD00010704
Smiles
Oc1ccc(c(c1)C)C(C)C
NscNumber
62111
Complexity
120
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3
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CatalogNumber: AB67752
ChemicalName: 4-Isopropyl-3-methylphenol
CasNumber: 3228-02-2
MolecularFormula: C10H14O
MolecularWeight: 150.2176
MdlNumber: MFCD00010704
Smiles: Oc1ccc(c(c1)C)C(C)C
NscNumber: 62111
Complexity: 120
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3
CatalogNumber:
AB67752
ChemicalName:
4-Isopropyl-3-methylphenol
CasNumber:
3228-02-2
MolecularFormula:
C10H14O
MolecularWeight:
150.2176
MdlNumber:
MFCD00010704
Smiles:
Oc1ccc(c(c1)C)C(C)C
NscNumber:
62111
Complexity:
120
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3
CatalogNumber: AB67753
ChemicalName: 4-Isopropyl-3-thiosemicarbazide
CasNumber: 13431-36-2
MolecularFormula: C4H11N3S
MolecularWeight: 133.2152
MdlNumber: MFCD00025144
Smiles: NNC(=S)NC(C)C
NscNumber: __
Complexity: 81.4
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 3
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AB67753
ChemicalName:
4-Isopropyl-3-thiosemicarbazide
CasNumber:
13431-36-2
MolecularFormula:
C4H11N3S
MolecularWeight:
133.2152
MdlNumber:
MFCD00025144
Smiles:
NNC(=S)NC(C)C
NscNumber:
__
Complexity:
81.4
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
3
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1c(c(F)c(c(c1F)F)F)[B-](c1c(F)c(F)c(c(c1F)F)F)(c1c(F)c(F)c(c(c1F)F)F)c1c(F)c(F)c(c(c1F)F)F.Cc1ccc(cc1)[I+]c1ccc(cc1)C(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1c(c(F)c(c(c1F)F)F)[B-](c1c(F)c(F)c(c(c1F)F)F)(c1c(F)c(F)c(c(c1F)F)F)c1c(F)c(F)c(c(c1F)F)F.Cc1ccc(cc1)[I+]c1ccc(cc1)C(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)Nc1ccc(cc1)C(C)C
NscNumber: __
Complexity: 169
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)Nc1ccc(cc1)C(C)C
NscNumber:
__
Complexity:
169
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.5