AB65262
64559-06-4 | 3-Methoxybenzenecarbothioamide
Manufacturer: A2B Chem
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CatalogNumber
AB65262
ChemicalName
3-Methoxybenzenecarbothioamide
CasNumber
64559-06-4
MolecularFormula
C8H9NOS
MolecularWeight
167.2282
MdlNumber
MFCD04627361
Smiles
COc1cccc(c1)C(=S)N
Complexity
149
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.4
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CatalogNumber: AB65262
ChemicalName: 3-Methoxybenzenecarbothioamide
CasNumber: 64559-06-4
MolecularFormula: C8H9NOS
MolecularWeight: 167.2282
MdlNumber: MFCD04627361
Smiles: COc1cccc(c1)C(=S)N
Complexity: 149
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AB65262
ChemicalName:
3-Methoxybenzenecarbothioamide
CasNumber:
64559-06-4
MolecularFormula:
C8H9NOS
MolecularWeight:
167.2282
MdlNumber:
MFCD04627361
Smiles:
COc1cccc(c1)C(=S)N
Complexity:
149
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cccc(c1)/C=C/[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cccc(c1)/C=C/[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1NCCN(C1)c1ccccc1[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1NCCN(C1)c1ccccc1[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB65265
ChemicalName: 3-Methyl-1-(pyridin-2-yl)butan-1-amine
CasNumber: 825647-69-6
MolecularFormula: C10H16N2
MolecularWeight: 164.2474
MdlNumber: MFCD12153903
Smiles: CC(CC(c1ccccn1)N)C
Complexity: 123
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AB65265
ChemicalName:
3-Methyl-1-(pyridin-2-yl)butan-1-amine
CasNumber:
825647-69-6
MolecularFormula:
C10H16N2
MolecularWeight:
164.2474
MdlNumber:
MFCD12153903
Smiles:
CC(CC(c1ccccn1)N)C
Complexity:
123
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.5