AD16036
96-27-5 | 3-Mercapto-1,2-propanediol
Manufacturer: A2B Chem
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CatalogNumber
AD16036
ChemicalName
3-Mercapto-1,2-propanediol
CasNumber
96-27-5
MolecularFormula
C3H8O2S
MolecularWeight
108.15942
MdlNumber
MFCD00004879
Smiles
OCC(CS)O
NscNumber
5370
Complexity
32
Covalently-bondedUnitCount
1
HeavyAtomCount
6
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
3
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
-0.8
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CatalogNumber: AD16036
ChemicalName: 3-Mercapto-1,2-propanediol
CasNumber: 96-27-5
MolecularFormula: C3H8O2S
MolecularWeight: 108.15942
MdlNumber: MFCD00004879
Smiles: OCC(CS)O
NscNumber: 5370
Complexity: 32
Covalently-bondedUnitCount: 1
HeavyAtomCount: 6
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.8
CatalogNumber:
AD16036
ChemicalName:
3-Mercapto-1,2-propanediol
CasNumber:
96-27-5
MolecularFormula:
C3H8O2S
MolecularWeight:
108.15942
MdlNumber:
MFCD00004879
Smiles:
OCC(CS)O
NscNumber:
5370
Complexity:
32
Covalently-bondedUnitCount:
1
HeavyAtomCount:
6
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cc2c(Cl)cc(cc2nc1C)Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCOC(=O)c1cc2c(Cl)cc(cc2nc1C)Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(N)c2c(n1)c(C)c(cc2)Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc(N)c2c(n1)c(C)c(cc2)Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1cc2c(N)ccnc2cc1Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1cc2c(N)ccnc2cc1Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__