AB21205
22952-24-5 | 6-Nitro-1,2-benzisothiazolin-3-one 1,1-dioxide
Manufacturer: A2B Chem
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CatalogNumber
AB21205
ChemicalName
6-Nitro-1,2-benzisothiazolin-3-one 1,1-dioxide
CasNumber
22952-24-5
MolecularFormula
C7H4N2O5S
MolecularWeight
228.1821
MdlNumber
MFCD00110677
Smiles
[O-][N+](=O)c1ccc2c(c1)S(=O)(=O)NC2=O
NscNumber
358278
Complexity
406
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
Xlogp3
0.7
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CatalogNumber: AB21205
ChemicalName: 6-Nitro-1,2-benzisothiazolin-3-one 1,1-dioxide
CasNumber: 22952-24-5
MolecularFormula: C7H4N2O5S
MolecularWeight: 228.1821
MdlNumber: MFCD00110677
Smiles: [O-][N+](=O)c1ccc2c(c1)S(=O)(=O)NC2=O
NscNumber: 358278
Complexity: 406
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
Xlogp3: 0.7
CatalogNumber:
AB21205
ChemicalName:
6-Nitro-1,2-benzisothiazolin-3-one 1,1-dioxide
CasNumber:
22952-24-5
MolecularFormula:
C7H4N2O5S
MolecularWeight:
228.1821
MdlNumber:
MFCD00110677
Smiles:
[O-][N+](=O)c1ccc2c(c1)S(=O)(=O)NC2=O
NscNumber:
358278
Complexity:
406
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1NS(=O)(=O)c2c1cc(cc2)[N+](=O)[O-]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1NS(=O)(=O)c2c1cc(cc2)[N+](=O)[O-]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)N)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)N)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__
CatalogNumber: AB21209
ChemicalName: L-2-Thienylalanine
CasNumber: 22951-96-8
MolecularFormula: C7H9NO2S
MolecularWeight: 171.21686
MdlNumber: MFCD00064335
Smiles: OC(=O)[C@H](Cc1cccs1)N
NscNumber: __
Complexity: 151
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
Xlogp3: -1.7
CatalogNumber:
AB21209
ChemicalName:
L-2-Thienylalanine
CasNumber:
22951-96-8
MolecularFormula:
C7H9NO2S
MolecularWeight:
171.21686
MdlNumber:
MFCD00064335
Smiles:
OC(=O)[C@H](Cc1cccs1)N
NscNumber:
__
Complexity:
151
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
Xlogp3:
-1.7