AC31409
84264-99-3 | 4-(Isopropylsulfanyl)benzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AC31409
ChemicalName
4-(Isopropylsulfanyl)benzaldehyde
CasNumber
84264-99-3
MolecularFormula
C10H12OS
MolecularWeight
180.2667
MdlNumber
MFCD18887933
Smiles
O=Cc1ccc(cc1)SC(C)C
Complexity
137
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
RotatableBondCount
3
Xlogp3
2.7
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CatalogNumber: AC31409
ChemicalName: 4-(Isopropylsulfanyl)benzaldehyde
CasNumber: 84264-99-3
MolecularFormula: C10H12OS
MolecularWeight: 180.2667
MdlNumber: MFCD18887933
Smiles: O=Cc1ccc(cc1)SC(C)C
Complexity: 137
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 2.7
CatalogNumber:
AC31409
ChemicalName:
4-(Isopropylsulfanyl)benzaldehyde
CasNumber:
84264-99-3
MolecularFormula:
C10H12OS
MolecularWeight:
180.2667
MdlNumber:
MFCD18887933
Smiles:
O=Cc1ccc(cc1)SC(C)C
Complexity:
137
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
2.7
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Smiles: O=CC1=C(Cl)C2C(S1)C=CC=C2C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O=CC1=C(Cl)C2C(S1)C=CC=C2C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: Cc1ccc(cc1)C=Cc1cc2c(s1)cccc2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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MolecularFormula:
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Smiles:
Cc1ccc(cc1)C=Cc1cc2c(s1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: O[C@H]([C@H](C(=O)O)O)C(=O)O.C[C@@H](Cc1ccc(cc1C)N(C)C)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@H]([C@H](C(=O)O)O)C(=O)O.C[C@@H](Cc1ccc(cc1C)N(C)C)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__