AA77558
155559-82-3 | 2-Mercapto-5-trifluoromethoxybenzothiazole
Manufacturer: A2B Chem
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CatalogNumber
AA77558
ChemicalName
2-Mercapto-5-trifluoromethoxybenzothiazole
CasNumber
155559-82-3
MolecularFormula
C8H4F3NOS2
MolecularWeight
251.2487
MdlNumber
MFCD13195694
Smiles
S=c1sc2c([nH]1)cc(cc2)OC(F)(F)F
Complexity
271
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3.6
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CatalogNumber: AA77558
ChemicalName: 2-Mercapto-5-trifluoromethoxybenzothiazole
CasNumber: 155559-82-3
MolecularFormula: C8H4F3NOS2
MolecularWeight: 251.2487
MdlNumber: MFCD13195694
Smiles: S=c1sc2c([nH]1)cc(cc2)OC(F)(F)F
Complexity: 271
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.6
CatalogNumber:
AA77558
ChemicalName:
2-Mercapto-5-trifluoromethoxybenzothiazole
CasNumber:
155559-82-3
MolecularFormula:
C8H4F3NOS2
MolecularWeight:
251.2487
MdlNumber:
MFCD13195694
Smiles:
S=c1sc2c([nH]1)cc(cc2)OC(F)(F)F
Complexity:
271
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCS(=O)(=O)c1ccc2c(c1)[nH]c(=S)o2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCS(=O)(=O)c1ccc2c(c1)[nH]c(=S)o2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA77561
ChemicalName: Hydroxyfasudil hydrochloride
CasNumber: 155558-32-0
MolecularFormula: C14H18ClN3O3S
MolecularWeight: 343.829
MdlNumber: MFCD16878992
Smiles: O=c1[nH]ccc2c1cccc2S(=O)(=O)N1CCNCCC1.Cl
Complexity: 526
Covalently-bondedUnitCount: 2
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AA77561
ChemicalName:
Hydroxyfasudil hydrochloride
CasNumber:
155558-32-0
MolecularFormula:
C14H18ClN3O3S
MolecularWeight:
343.829
MdlNumber:
MFCD16878992
Smiles:
O=c1[nH]ccc2c1cccc2S(=O)(=O)N1CCNCCC1.Cl
Complexity:
526
Covalently-bondedUnitCount:
2
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: c1cnc(cn1)C=Cc1cccs1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
c1cnc(cn1)C=Cc1cccs1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__