AB01526
178928-70-6 | Prothioconazole
Manufacturer: A2B Chem
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CatalogNumber
AB01526
ChemicalName
Prothioconazole
CasNumber
178928-70-6
MolecularFormula
C14H15Cl2N3OS
MolecularWeight
344.2594
MdlNumber
MFCD08273847
Smiles
Clc1ccccc1CC(C1(Cl)CC1)(Cn1[nH]cnc1=S)O
Complexity
458
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
2.7
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CatalogNumber: AB01526
ChemicalName: Prothioconazole
CasNumber: 178928-70-6
MolecularFormula: C14H15Cl2N3OS
MolecularWeight: 344.2594
MdlNumber: MFCD08273847
Smiles: Clc1ccccc1CC(C1(Cl)CC1)(Cn1[nH]cnc1=S)O
Complexity: 458
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.7
CatalogNumber:
AB01526
ChemicalName:
Prothioconazole
CasNumber:
178928-70-6
MolecularFormula:
C14H15Cl2N3OS
MolecularWeight:
344.2594
MdlNumber:
MFCD08273847
Smiles:
Clc1ccccc1CC(C1(Cl)CC1)(Cn1[nH]cnc1=S)O
Complexity:
458
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: c1ccc(cc1)c1ncc([nH]1)CN1CCN(CC1)c1ncccn1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
c1ccc(cc1)c1ncc([nH]1)CN1CCN(CC1)c1ncccn1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1cccc(c1)N1CCNCC1
Complexity: 224
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 0.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1cccc(c1)N1CCNCC1
Complexity:
224
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(ccc1N1NC(=N[NH+]1c1nc2c(s1)cccc2)c1ccc(cc1)C(=O)NCCS(=O)(=O)[O-])C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(ccc1N1NC(=N[NH+]1c1nc2c(s1)cccc2)c1ccc(cc1)C(=O)NCCS(=O)(=O)[O-])C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__