AA79206
15717-17-6 | 2-Chlorobenzenecarbothioamide
Manufacturer: A2B Chem
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CatalogNumber
AA79206
ChemicalName
2-Chlorobenzenecarbothioamide
CasNumber
15717-17-6
MolecularFormula
C7H6ClNS
MolecularWeight
171.6472
MdlNumber
MFCD00040955
Smiles
NC(=S)c1ccccc1Cl
Complexity
138
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.2
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CatalogNumber: AA79206
ChemicalName: 2-Chlorobenzenecarbothioamide
CasNumber: 15717-17-6
MolecularFormula: C7H6ClNS
MolecularWeight: 171.6472
MdlNumber: MFCD00040955
Smiles: NC(=S)c1ccccc1Cl
Complexity: 138
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.2
CatalogNumber:
AA79206
ChemicalName:
2-Chlorobenzenecarbothioamide
CasNumber:
15717-17-6
MolecularFormula:
C7H6ClNS
MolecularWeight:
171.6472
MdlNumber:
MFCD00040955
Smiles:
NC(=S)c1ccccc1Cl
Complexity:
138
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)O.CCN(CC)CC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)O.CCN(CC)CC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCc1ccc(cc1)C[C@H](C(=O)O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCc1ccc(cc1)C[C@H](C(=O)O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA79214
ChemicalName: Ethyl 2-cyanopropanoate
CasNumber: 1572-99-2
MolecularFormula: C6H9NO2
MolecularWeight: 127.1412
MdlNumber: MFCD00013812
Smiles: CC(C(=O)OCC)C#N
Complexity: 144
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 0.9
CatalogNumber:
AA79214
ChemicalName:
Ethyl 2-cyanopropanoate
CasNumber:
1572-99-2
MolecularFormula:
C6H9NO2
MolecularWeight:
127.1412
MdlNumber:
MFCD00013812
Smiles:
CC(C(=O)OCC)C#N
Complexity:
144
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
0.9