AA81774
1596350-40-1 | 4-(Methylthio)pyrrolo[2,1-f][1,2,4]triazine
Manufacturer: A2B Chem
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CatalogNumber
AA81774
ChemicalName
4-(Methylthio)pyrrolo[2,1-f][1,2,4]triazine
CasNumber
1596350-40-1
MolecularFormula
C7H7N3S
MolecularWeight
165.21558
MdlNumber
MFCD28674592
Smiles
CSc1ncnn2c1ccc2
Complexity
142
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
1.3
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CatalogNumber: AA81774
ChemicalName: 4-(Methylthio)pyrrolo[2,1-f][1,2,4]triazine
CasNumber: 1596350-40-1
MolecularFormula: C7H7N3S
MolecularWeight: 165.21558
MdlNumber: MFCD28674592
Smiles: CSc1ncnn2c1ccc2
Complexity: 142
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 1.3
CatalogNumber:
AA81774
ChemicalName:
4-(Methylthio)pyrrolo[2,1-f][1,2,4]triazine
CasNumber:
1596350-40-1
MolecularFormula:
C7H7N3S
MolecularWeight:
165.21558
MdlNumber:
MFCD28674592
Smiles:
CSc1ncnn2c1ccc2
Complexity:
142
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
1.3
CatalogNumber: AA81778
ChemicalName: 5,7-Dibromo-3,4-dihydro-2h-naphthalen-1-one
CasNumber: 159639-61-9
MolecularFormula: C10H8Br2O
MolecularWeight: 303.9779
MdlNumber: MFCD09752947
Smiles: Brc1cc(Br)c2c(c1)C(=O)CCC2
Complexity: 217
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
RotatableBondCount: __
Xlogp3: 3.4
CatalogNumber:
AA81778
ChemicalName:
5,7-Dibromo-3,4-dihydro-2h-naphthalen-1-one
CasNumber:
159639-61-9
MolecularFormula:
C10H8Br2O
MolecularWeight:
303.9779
MdlNumber:
MFCD09752947
Smiles:
Brc1cc(Br)c2c(c1)C(=O)CCC2
Complexity:
217
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
RotatableBondCount:
__
Xlogp3:
3.4
CatalogNumber: AA81780
ChemicalName: N-Boc-n,n-bis(2-bromoethyl)amine
CasNumber: 159635-50-4
MolecularFormula: C9H17Br2NO2
MolecularWeight: 331.0448
MdlNumber: MFCD11519276
Smiles: BrCCN(C(=O)OC(C)(C)C)CCBr
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
RotatableBondCount: 6
Xlogp3: 2.6
CatalogNumber:
AA81780
ChemicalName:
N-Boc-n,n-bis(2-bromoethyl)amine
CasNumber:
159635-50-4
MolecularFormula:
C9H17Br2NO2
MolecularWeight:
331.0448
MdlNumber:
MFCD11519276
Smiles:
BrCCN(C(=O)OC(C)(C)C)CCBr
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
RotatableBondCount:
6
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CCC(=C)CC1)OC(C)(C)C
Complexity: 230
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCC(=C)CC1)OC(C)(C)C
Complexity:
230
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.9