AA01739
1003-07-2 | 3(2H)-Isothiazolone
Manufacturer: A2B Chem
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CatalogNumber
AA01739
ChemicalName
3(2H)-Isothiazolone
CasNumber
1003-07-2
MolecularFormula
C3H3NOS
MolecularWeight
101.127
MdlNumber
MFCD09834764
Smiles
O=c1ccs[nH]1
NscNumber
93489
Complexity
99
Covalently-bondedUnitCount
1
HeavyAtomCount
6
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
Xlogp3
-0.1
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CatalogNumber: AA01739
ChemicalName: 3(2H)-Isothiazolone
CasNumber: 1003-07-2
MolecularFormula: C3H3NOS
MolecularWeight: 101.127
MdlNumber: MFCD09834764
Smiles: O=c1ccs[nH]1
NscNumber: 93489
Complexity: 99
Covalently-bondedUnitCount: 1
HeavyAtomCount: 6
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
Xlogp3: -0.1
CatalogNumber:
AA01739
ChemicalName:
3(2H)-Isothiazolone
CasNumber:
1003-07-2
MolecularFormula:
C3H3NOS
MolecularWeight:
101.127
MdlNumber:
MFCD09834764
Smiles:
O=c1ccs[nH]1
NscNumber:
93489
Complexity:
99
Covalently-bondedUnitCount:
1
HeavyAtomCount:
6
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
Xlogp3:
-0.1
CatalogNumber: AA01740
ChemicalName: Tetrahydrothiophen-3-one
CasNumber: 1003-04-9
MolecularFormula: C4H6OS
MolecularWeight: 102.1548
MdlNumber: MFCD00005412
Smiles: O=C1CSCC1
NscNumber: 241151
Complexity: 69.9
Covalently-bondedUnitCount: 1
HeavyAtomCount: 6
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
Xlogp3: 0.4
CatalogNumber:
AA01740
ChemicalName:
Tetrahydrothiophen-3-one
CasNumber:
1003-04-9
MolecularFormula:
C4H6OS
MolecularWeight:
102.1548
MdlNumber:
MFCD00005412
Smiles:
O=C1CSCC1
NscNumber:
241151
Complexity:
69.9
Covalently-bondedUnitCount:
1
HeavyAtomCount:
6
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC1CCCC1
NscNumber: __
Complexity: 37.2
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: 0.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC1CCCC1
NscNumber:
__
Complexity:
37.2
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__