AE98754
1719-76-2 | N-Isopropylthiourea
Manufacturer: A2B Chem
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CatalogNumber
AE98754
ChemicalName
N-Isopropylthiourea
CasNumber
1719-76-2
MolecularFormula
C4H10N2S
MolecularWeight
118.2006
MdlNumber
MFCD00041375
Smiles
CC(NC(=S)N)C
Complexity
70.1
Covalently-bondedUnitCount
1
HeavyAtomCount
7
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
0.4
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CatalogNumber: AE98754
ChemicalName: N-Isopropylthiourea
CasNumber: 1719-76-2
MolecularFormula: C4H10N2S
MolecularWeight: 118.2006
MdlNumber: MFCD00041375
Smiles: CC(NC(=S)N)C
Complexity: 70.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.4
CatalogNumber:
AE98754
ChemicalName:
N-Isopropylthiourea
CasNumber:
1719-76-2
MolecularFormula:
C4H10N2S
MolecularWeight:
118.2006
MdlNumber:
MFCD00041375
Smiles:
CC(NC(=S)N)C
Complexity:
70.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.4
CatalogNumber: AE98755
ChemicalName: Methyl 5-nitro-2-furoate
CasNumber: 1874-23-3
MolecularFormula: C6H5NO5
MolecularWeight: 171.1076
MdlNumber: MFCD00051956
Smiles: [O-][N+](=O)c1ccc(o1)C(=O)OC
Complexity: 199
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 1
CatalogNumber:
AE98755
ChemicalName:
Methyl 5-nitro-2-furoate
CasNumber:
1874-23-3
MolecularFormula:
C6H5NO5
MolecularWeight:
171.1076
MdlNumber:
MFCD00051956
Smiles:
[O-][N+](=O)c1ccc(o1)C(=O)OC
Complexity:
199
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[N+](C)(C)CC(=O)O.[OH-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[N+](C)(C)CC(=O)O.[OH-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: c1ccc(cc1)/C=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
c1ccc(cc1)/C=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__