AX08326
1850380-77-6 | (S)-S-Isopropyl 2-((tert-butoxycarbonyl)amino)propanethioate
Manufacturer: A2B Chem
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CatalogNumber
AX08326
ChemicalName
(S)-S-Isopropyl 2-((tert-butoxycarbonyl)amino)propanethioate
CasNumber
1850380-77-6
MolecularFormula
C11H21NO3S
MolecularWeight
247.3543
MdlNumber
MFCD29477720
Smiles
CC(SC(=O)[C@@H](NC(=O)OC(C)(C)C)C)C
Complexity
258
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
2.6
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CatalogNumber: AX08326
ChemicalName: (S)-S-Isopropyl 2-((tert-butoxycarbonyl)amino)propanethioate
CasNumber: 1850380-77-6
MolecularFormula: C11H21NO3S
MolecularWeight: 247.3543
MdlNumber: MFCD29477720
Smiles: CC(SC(=O)[C@@H](NC(=O)OC(C)(C)C)C)C
Complexity: 258
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 2.6
CatalogNumber:
AX08326
ChemicalName:
(S)-S-Isopropyl 2-((tert-butoxycarbonyl)amino)propanethioate
CasNumber:
1850380-77-6
MolecularFormula:
C11H21NO3S
MolecularWeight:
247.3543
MdlNumber:
MFCD29477720
Smiles:
CC(SC(=O)[C@@H](NC(=O)OC(C)(C)C)C)C
Complexity:
258
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc(cc1)S(=O)(=O)N(C(C)C)Cc1ccccc1
Complexity: 405
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc(cc1)S(=O)(=O)N(C(C)C)Cc1ccccc1
Complexity:
405
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1c(Cl)cn[nH]1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1c(Cl)cn[nH]1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1c(CC(=O)O)c2c(n1C)cccc2
Complexity: 333
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1c(CC(=O)O)c2c(n1C)cccc2
Complexity:
333
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.5