AI53192
59-43-8 | Vitamin b1
Manufacturer: A2B Chem
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CatalogNumber
AI53192
ChemicalName
Vitamin b1
CasNumber
59-43-8
MolecularFormula
C12H17ClN4OS
MolecularWeight
300.8076
MdlNumber
MFCD00044586
Smiles
OCCc1sc[n+](c1C)Cc1cnc(nc1N)C.[Cl-]
Complexity
269
Covalently-bondedUnitCount
2
HeavyAtomCount
19
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
4
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CatalogNumber: AI53192
ChemicalName: Vitamin b1
CasNumber: 59-43-8
MolecularFormula: C12H17ClN4OS
MolecularWeight: 300.8076
MdlNumber: MFCD00044586
Smiles: OCCc1sc[n+](c1C)Cc1cnc(nc1N)C.[Cl-]
Complexity: 269
Covalently-bondedUnitCount: 2
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 4
CatalogNumber:
AI53192
ChemicalName:
Vitamin b1
CasNumber:
59-43-8
MolecularFormula:
C12H17ClN4OS
MolecularWeight:
300.8076
MdlNumber:
MFCD00044586
Smiles:
OCCc1sc[n+](c1C)Cc1cnc(nc1N)C.[Cl-]
Complexity:
269
Covalently-bondedUnitCount:
2
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
4
CatalogNumber: AI53193
ChemicalName: 2-(diethylamino)ethyl 4-aminobenzoate
CasNumber: 59-46-1
MolecularFormula: C13H20N2O2
MolecularWeight: 236.3101
MdlNumber: MFCD00007893
Smiles: CCN(CCOC(=O)c1ccc(cc1)N)CC
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 7
CatalogNumber:
AI53193
ChemicalName:
2-(diethylamino)ethyl 4-aminobenzoate
CasNumber:
59-46-1
MolecularFormula:
C13H20N2O2
MolecularWeight:
236.3101
MdlNumber:
MFCD00007893
Smiles:
CCN(CCOC(=O)c1ccc(cc1)N)CC
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
7
CatalogNumber: AI53194
ChemicalName: N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(2Z)-5-hydroxy-3-(propyldisulfanyl)pent-2-en-2-yl]formamide
CasNumber: 59-58-5
MolecularFormula: C15H24N4O2S2
MolecularWeight: 356.5067
MdlNumber: MFCD00023265
Smiles: OCC/C(=C(N(Cc1cnc(nc1N)C)C=O)/C)/SSCCC
Complexity: 396
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 9
CatalogNumber:
AI53194
ChemicalName:
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(2Z)-5-hydroxy-3-(propyldisulfanyl)pent-2-en-2-yl]formamide
CasNumber:
59-58-5
MolecularFormula:
C15H24N4O2S2
MolecularWeight:
356.5067
MdlNumber:
MFCD00023265
Smiles:
OCC/C(=C(N(Cc1cnc(nc1N)C)C=O)/C)/SSCCC
Complexity:
396
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]C(=O)C[N+](C)(C)C.Cl
Complexity: 93.1
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]C(=O)C[N+](C)(C)C.Cl
Complexity:
93.1
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__