AB45150
2396-68-1 | 4-tert-Butylthiophenol
Manufacturer: A2B Chem
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CatalogNumber
AB45150
ChemicalName
4-tert-Butylthiophenol
CasNumber
2396-68-1
MolecularFormula
C10H14S
MolecularWeight
166.2832
MdlNumber
MFCD00022067
Smiles
CC(c1ccc(cc1)S)(C)C
Complexity
115
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3.8
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CatalogNumber: AB45150
ChemicalName: 4-tert-Butylthiophenol
CasNumber: 2396-68-1
MolecularFormula: C10H14S
MolecularWeight: 166.2832
MdlNumber: MFCD00022067
Smiles: CC(c1ccc(cc1)S)(C)C
Complexity: 115
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.8
CatalogNumber:
AB45150
ChemicalName:
4-tert-Butylthiophenol
CasNumber:
2396-68-1
MolecularFormula:
C10H14S
MolecularWeight:
166.2832
MdlNumber:
MFCD00022067
Smiles:
CC(c1ccc(cc1)S)(C)C
Complexity:
115
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.8
CatalogNumber: AB45151
ChemicalName: 2-(oxan-4-yl)acetaldehyde
CasNumber: 65626-23-5
MolecularFormula: C7H12O2
MolecularWeight: 128.169
MdlNumber: MFCD03425265
Smiles: O=CCC1CCOCC1
Complexity: 84.9
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 0.3
CatalogNumber:
AB45151
ChemicalName:
2-(oxan-4-yl)acetaldehyde
CasNumber:
65626-23-5
MolecularFormula:
C7H12O2
MolecularWeight:
128.169
MdlNumber:
MFCD03425265
Smiles:
O=CCC1CCOCC1
Complexity:
84.9
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
0.3
CatalogNumber: AB45152
ChemicalName: 4-Thiouracil
CasNumber: 591-28-6
MolecularFormula: C4H4N2OS
MolecularWeight: 128.1524
MdlNumber: MFCD00090842
Smiles: S=c1cc[nH]c(=O)[nH]1
Complexity: 163
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: -0.5
CatalogNumber:
AB45152
ChemicalName:
4-Thiouracil
CasNumber:
591-28-6
MolecularFormula:
C4H4N2OS
MolecularWeight:
128.1524
MdlNumber:
MFCD00090842
Smiles:
S=c1cc[nH]c(=O)[nH]1
Complexity:
163
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
-0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OB(c1ccc(cc1)C)O
Complexity: 97.8
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OB(c1ccc(cc1)C)O
Complexity:
97.8
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__