AI51256
5025-82-1 | Folcisteine
Manufacturer: A2B Chem
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CatalogNumber
AI51256
ChemicalName
Folcisteine
CasNumber
5025-82-1
MolecularFormula
C6H4NO3S
MolecularWeight
170.1659
MdlNumber
MFCD00070139
Smiles
[O]C(=O)C1=CS[CH]N1C(=O)[CH2]
NscNumber
146111
Complexity
194
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
-0.1
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CatalogNumber: AI51256
ChemicalName: Folcisteine
CasNumber: 5025-82-1
MolecularFormula: C6H4NO3S
MolecularWeight: 170.1659
MdlNumber: MFCD00070139
Smiles: [O]C(=O)C1=CS[CH]N1C(=O)[CH2]
NscNumber: 146111
Complexity: 194
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.1
CatalogNumber:
AI51256
ChemicalName:
Folcisteine
CasNumber:
5025-82-1
MolecularFormula:
C6H4NO3S
MolecularWeight:
170.1659
MdlNumber:
MFCD00070139
Smiles:
[O]C(=O)C1=CS[CH]N1C(=O)[CH2]
NscNumber:
146111
Complexity:
194
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(Cl)cc(c1)B1OC(C(O1)(C)C)(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc(Cl)cc(c1)B1OC(C(O1)(C)C)(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CCNC(C1)Cc1ccccc1)OC(C)(C)C
NscNumber: __
Complexity: 319
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCNC(C1)Cc1ccccc1)OC(C)(C)C
NscNumber:
__
Complexity:
319
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.5
CatalogNumber: AI51259
ChemicalName: 2-(4-isopropoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CasNumber: 502649-34-5
MolecularFormula: C15H23BO3
MolecularWeight: 262.1523
MdlNumber: MFCD16334001
Smiles: CC(Oc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)C
NscNumber: __
Complexity: 291
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AI51259
ChemicalName:
2-(4-isopropoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CasNumber:
502649-34-5
MolecularFormula:
C15H23BO3
MolecularWeight:
262.1523
MdlNumber:
MFCD16334001
Smiles:
CC(Oc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)C
NscNumber:
__
Complexity:
291
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
__