AB47617
956014-19-0 | 1-(3,5-Bis(trifluoromethyl)phenyl)-3-(4-bromo-2-(2H-tetrazol-5-yl)phenyl)thiourea
Manufacturer: A2B Chem
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CatalogNumber
AB47617
ChemicalName
1-(3,5-Bis(trifluoromethyl)phenyl)-3-(4-bromo-2-(2H-tetrazol-5-yl)phenyl)thiourea
CasNumber
956014-19-0
MolecularFormula
C16H9BrF6N6S
MolecularWeight
511.2423
MdlNumber
MFCD24387114
Smiles
S=C(Nc1ccc(cc1c1nn[nH]n1)Br)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Complexity
586
Covalently-bondedUnitCount
1
HeavyAtomCount
30
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
3
RotatableBondCount
3
Xlogp3
4.8
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CatalogNumber: AB47617
ChemicalName: 1-(3,5-Bis(trifluoromethyl)phenyl)-3-(4-bromo-2-(2H-tetrazol-5-yl)phenyl)thiourea
CasNumber: 956014-19-0
MolecularFormula: C16H9BrF6N6S
MolecularWeight: 511.2423
MdlNumber: MFCD24387114
Smiles: S=C(Nc1ccc(cc1c1nn[nH]n1)Br)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Complexity: 586
Covalently-bondedUnitCount: 1
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 3
RotatableBondCount: 3
Xlogp3: 4.8
CatalogNumber:
AB47617
ChemicalName:
1-(3,5-Bis(trifluoromethyl)phenyl)-3-(4-bromo-2-(2H-tetrazol-5-yl)phenyl)thiourea
CasNumber:
956014-19-0
MolecularFormula:
C16H9BrF6N6S
MolecularWeight:
511.2423
MdlNumber:
MFCD24387114
Smiles:
S=C(Nc1ccc(cc1c1nn[nH]n1)Br)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Complexity:
586
Covalently-bondedUnitCount:
1
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
3
RotatableBondCount:
3
Xlogp3:
4.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCNCCCNCCO
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
OCCNCCCNCCO
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Smiles: COC(=C)OC
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COC(=C)OC
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CatalogNumber: AB47620
ChemicalName: 2-((4-Aminophenyl)sulfonyl)ethyl hydrogen sulfate
CasNumber: 2494-89-5
MolecularFormula: C8H11NO6S2
MolecularWeight: 281.306
MdlNumber: MFCD00100131
Smiles: Nc1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)O
Complexity: 424
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: -0.6
CatalogNumber:
AB47620
ChemicalName:
2-((4-Aminophenyl)sulfonyl)ethyl hydrogen sulfate
CasNumber:
2494-89-5
MolecularFormula:
C8H11NO6S2
MolecularWeight:
281.306
MdlNumber:
MFCD00100131
Smiles:
Nc1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)O
Complexity:
424
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
-0.6