AB51413
107819-90-9 | 1,3-Di-boc-2-methylisothiourea
Manufacturer: A2B Chem
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CatalogNumber
AB51413
ChemicalName
1,3-Di-boc-2-methylisothiourea
CasNumber
107819-90-9
MolecularFormula
C12H22N2O4S
MolecularWeight
290.3791
MdlNumber
MFCD00239356
Smiles
CSC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
Complexity
367
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
3.7
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CatalogNumber: AB51413
ChemicalName: 1,3-Di-boc-2-methylisothiourea
CasNumber: 107819-90-9
MolecularFormula: C12H22N2O4S
MolecularWeight: 290.3791
MdlNumber: MFCD00239356
Smiles: CSC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
Complexity: 367
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 3.7
CatalogNumber:
AB51413
ChemicalName:
1,3-Di-boc-2-methylisothiourea
CasNumber:
107819-90-9
MolecularFormula:
C12H22N2O4S
MolecularWeight:
290.3791
MdlNumber:
MFCD00239356
Smiles:
CSC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
Complexity:
367
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
3.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C=CC(=O)O
Complexity: 119
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C=CC(=O)O
Complexity:
119
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC1=N[C@@H](C(=NC1)OCC)C(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC1=N[C@@H](C(=NC1)OCC)C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(OOC(C)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(OOC(C)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__