AI48969
364596-21-4 | 2-Amino-5-benzylthiophene-3-carbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI48969
ChemicalName
2-Amino-5-benzylthiophene-3-carbonitrile
CasNumber
364596-21-4
MolecularFormula
C12H10N2S
MolecularWeight
214.2862
MdlNumber
MFCD01857229
Smiles
N#Cc1cc(sc1N)Cc1ccccc1
Complexity
252
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.5
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CatalogNumber: AI48969
ChemicalName: 2-Amino-5-benzylthiophene-3-carbonitrile
CasNumber: 364596-21-4
MolecularFormula: C12H10N2S
MolecularWeight: 214.2862
MdlNumber: MFCD01857229
Smiles: N#Cc1cc(sc1N)Cc1ccccc1
Complexity: 252
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.5
CatalogNumber:
AI48969
ChemicalName:
2-Amino-5-benzylthiophene-3-carbonitrile
CasNumber:
364596-21-4
MolecularFormula:
C12H10N2S
MolecularWeight:
214.2862
MdlNumber:
MFCD01857229
Smiles:
N#Cc1cc(sc1N)Cc1ccccc1
Complexity:
252
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.5
CatalogNumber: AI48970
ChemicalName: Doripenem hydrate
CasNumber: 364622-82-2
MolecularFormula: C15H26N4O7S2
MolecularWeight: 438.5195
MdlNumber: MFCD02092739
Smiles: C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)S[C@@H]1CN[C@@H](C1)CNS(=O)(=O)N)O.O
Complexity: 780
Covalently-bondedUnitCount: 2
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 11
HydrogenBondDonorCount: 6
RotatableBondCount: 7
Xlogp3: __
CatalogNumber:
AI48970
ChemicalName:
Doripenem hydrate
CasNumber:
364622-82-2
MolecularFormula:
C15H26N4O7S2
MolecularWeight:
438.5195
MdlNumber:
MFCD02092739
Smiles:
C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)S[C@@H]1CN[C@@H](C1)CNS(=O)(=O)N)O.O
Complexity:
780
Covalently-bondedUnitCount:
2
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
11
HydrogenBondDonorCount:
6
RotatableBondCount:
7
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1NC(=O)C2C1C1C=CC2C1
Complexity: 280
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1NC(=O)C2C1C1C=CC2C1
Complexity:
280
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)N([C@H]1CCCNC1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)N([C@H]1CCCNC1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__