AB46501
188614-01-9 | Methyl 3-oxo-3,4-dihydro-2h-1,4-benzothiazine-6-carboxylate
Manufacturer: A2B Chem
The price for this product is unavailable. Please request a quote
CatalogNumber
AB46501
ChemicalName
Methyl 3-oxo-3,4-dihydro-2h-1,4-benzothiazine-6-carboxylate
CasNumber
188614-01-9
MolecularFormula
C10H9NO3S
MolecularWeight
223.2484
MdlNumber
MFCD00449104
Smiles
COC(=O)c1ccc2c(c1)NC(=O)CS2
Complexity
282
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.3
Compare Similar Items
Show Difference
CatalogNumber: AB46501
ChemicalName: Methyl 3-oxo-3,4-dihydro-2h-1,4-benzothiazine-6-carboxylate
CasNumber: 188614-01-9
MolecularFormula: C10H9NO3S
MolecularWeight: 223.2484
MdlNumber: MFCD00449104
Smiles: COC(=O)c1ccc2c(c1)NC(=O)CS2
Complexity: 282
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AB46501
ChemicalName:
Methyl 3-oxo-3,4-dihydro-2h-1,4-benzothiazine-6-carboxylate
CasNumber:
188614-01-9
MolecularFormula:
C10H9NO3S
MolecularWeight:
223.2484
MdlNumber:
MFCD00449104
Smiles:
COC(=O)c1ccc2c(c1)NC(=O)CS2
Complexity:
282
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCc1ccc(cc1)C(=O)OC
Complexity: 151
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCc1ccc(cc1)C(=O)OC
Complexity:
151
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.9
CatalogNumber: AB46503
ChemicalName: Methyl 4-(chlorosulfonyl)benzoate
CasNumber: 69812-51-7
MolecularFormula: C8H7ClO4S
MolecularWeight: 234.65678000000003
MdlNumber: MFCD00627554
Smiles: COC(=O)c1ccc(cc1)S(=O)(=O)Cl
Complexity: 298
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AB46503
ChemicalName:
Methyl 4-(chlorosulfonyl)benzoate
CasNumber:
69812-51-7
MolecularFormula:
C8H7ClO4S
MolecularWeight:
234.65678000000003
MdlNumber:
MFCD00627554
Smiles:
COC(=O)c1ccc(cc1)S(=O)(=O)Cl
Complexity:
298
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
2.1
CatalogNumber: AB46504
ChemicalName: Methyl 4-(cyanomethyl)benzoate
CasNumber: 76469-88-0
MolecularFormula: C10H9NO2
MolecularWeight: 175.184
MdlNumber: MFCD00060695
Smiles: N#CCc1ccc(cc1)C(=O)OC
Complexity: 220
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 2
CatalogNumber:
AB46504
ChemicalName:
Methyl 4-(cyanomethyl)benzoate
CasNumber:
76469-88-0
MolecularFormula:
C10H9NO2
MolecularWeight:
175.184
MdlNumber:
MFCD00060695
Smiles:
N#CCc1ccc(cc1)C(=O)OC
Complexity:
220
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
2