AB44176
13515-65-6 | 2-Methylpropanethioamide
Manufacturer: A2B Chem
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CatalogNumber
AB44176
ChemicalName
2-Methylpropanethioamide
CasNumber
13515-65-6
MolecularFormula
C4H9NS
MolecularWeight
103.186
MdlNumber
MFCD07369538
Smiles
CC(C(=S)N)C
Complexity
58.6
Covalently-bondedUnitCount
1
HeavyAtomCount
6
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.8
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CatalogNumber: AB44176
ChemicalName: 2-Methylpropanethioamide
CasNumber: 13515-65-6
MolecularFormula: C4H9NS
MolecularWeight: 103.186
MdlNumber: MFCD07369538
Smiles: CC(C(=S)N)C
Complexity: 58.6
Covalently-bondedUnitCount: 1
HeavyAtomCount: 6
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.8
CatalogNumber:
AB44176
ChemicalName:
2-Methylpropanethioamide
CasNumber:
13515-65-6
MolecularFormula:
C4H9NS
MolecularWeight:
103.186
MdlNumber:
MFCD07369538
Smiles:
CC(C(=S)N)C
Complexity:
58.6
Covalently-bondedUnitCount:
1
HeavyAtomCount:
6
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.8
CatalogNumber: AB44177
ChemicalName: 2-Methylpyrimidin-5-ylboronic acid pinacol ester
CasNumber: 1052686-67-5
MolecularFormula: C11H17BN2O2
MolecularWeight: 220.0759
MdlNumber: MFCD12032615
Smiles: Cc1ncc(cn1)B1OC(C(O1)(C)C)(C)C
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AB44177
ChemicalName:
2-Methylpyrimidin-5-ylboronic acid pinacol ester
CasNumber:
1052686-67-5
MolecularFormula:
C11H17BN2O2
MolecularWeight:
220.0759
MdlNumber:
MFCD12032615
Smiles:
Cc1ncc(cn1)B1OC(C(O1)(C)C)(C)C
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C(=O)O)CCC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C(=O)O)CCC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1ccc2c(c1)cccc2
Complexity: 164
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1ccc2c(c1)cccc2
Complexity:
164
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3