AB51378
118292-06-1 | 6-Ethynyl-4,4-dimethylthiochroman
Manufacturer: A2B Chem
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CatalogNumber
AB51378
ChemicalName
6-Ethynyl-4,4-dimethylthiochroman
CasNumber
118292-06-1
MolecularFormula
C13H14S
MolecularWeight
202.3153
MdlNumber
MFCD00902029
Smiles
C#Cc1ccc2c(c1)C(C)(C)CCS2
Complexity
258
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
1
RotatableBondCount
1
Xlogp3
3.9
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CatalogNumber: AB51378
ChemicalName: 6-Ethynyl-4,4-dimethylthiochroman
CasNumber: 118292-06-1
MolecularFormula: C13H14S
MolecularWeight: 202.3153
MdlNumber: MFCD00902029
Smiles: C#Cc1ccc2c(c1)C(C)(C)CCS2
Complexity: 258
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
Xlogp3: 3.9
CatalogNumber:
AB51378
ChemicalName:
6-Ethynyl-4,4-dimethylthiochroman
CasNumber:
118292-06-1
MolecularFormula:
C13H14S
MolecularWeight:
202.3153
MdlNumber:
MFCD00902029
Smiles:
C#Cc1ccc2c(c1)C(C)(C)CCS2
Complexity:
258
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
Xlogp3:
3.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@@H](NC(=O)OC(C)(C)C)C#C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@@H](NC(=O)OC(C)(C)C)C#C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB51381
ChemicalName: 4-Chloro-3-cyanobenzoic acid
CasNumber: 117738-76-8
MolecularFormula: C8H4ClNO2
MolecularWeight: 181.5759
MdlNumber: MFCD09999808
Smiles: N#Cc1cc(ccc1Cl)C(=O)O
Complexity: 233
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 2.6
CatalogNumber:
AB51381
ChemicalName:
4-Chloro-3-cyanobenzoic acid
CasNumber:
117738-76-8
MolecularFormula:
C8H4ClNO2
MolecularWeight:
181.5759
MdlNumber:
MFCD09999808
Smiles:
N#Cc1cc(ccc1Cl)C(=O)O
Complexity:
233
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
2.6
CatalogNumber: AB51382
ChemicalName: 4-Bromo-3,5-dichlorobenzoic acid
CasNumber: 117738-75-7
MolecularFormula: C7H3BrCl2O2
MolecularWeight: 269.9075
MdlNumber: MFCD14704247
Smiles: OC(=O)c1cc(Cl)c(c(c1)Cl)Br
Complexity: 176
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 3.4
CatalogNumber:
AB51382
ChemicalName:
4-Bromo-3,5-dichlorobenzoic acid
CasNumber:
117738-75-7
MolecularFormula:
C7H3BrCl2O2
MolecularWeight:
269.9075
MdlNumber:
MFCD14704247
Smiles:
OC(=O)c1cc(Cl)c(c(c1)Cl)Br
Complexity:
176
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
3.4