AG74114
595597-00-5 | Carbamic acid, (tetrahydro-2h-thiopyran-4-yl)-, 1,1-dimethylethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AG74114
ChemicalName
Carbamic acid, (tetrahydro-2h-thiopyran-4-yl)-, 1,1-dimethylethyl ester
CasNumber
595597-00-5
MolecularFormula
C10H19NO2S
MolecularWeight
217.3284
MdlNumber
MFCD16659876
Smiles
O=C(OC(C)(C)C)NC1CCSCC1
Complexity
195
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.1
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CatalogNumber: AG74114
ChemicalName: Carbamic acid, (tetrahydro-2h-thiopyran-4-yl)-, 1,1-dimethylethyl ester
CasNumber: 595597-00-5
MolecularFormula: C10H19NO2S
MolecularWeight: 217.3284
MdlNumber: MFCD16659876
Smiles: O=C(OC(C)(C)C)NC1CCSCC1
Complexity: 195
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AG74114
ChemicalName:
Carbamic acid, (tetrahydro-2h-thiopyran-4-yl)-, 1,1-dimethylethyl ester
CasNumber:
595597-00-5
MolecularFormula:
C10H19NO2S
MolecularWeight:
217.3284
MdlNumber:
MFCD16659876
Smiles:
O=C(OC(C)(C)C)NC1CCSCC1
Complexity:
195
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1C(C)(C)SC1(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1C(C)(C)SC1(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG74116
ChemicalName: Cis-methyl-3-hydroxycyclobutane-1-carboxylate
CasNumber: 63485-50-7
MolecularFormula: C6H10O3
MolecularWeight: 130.1418
MdlNumber: MFCD18483124
Smiles: COC(=O)[C@@H]1C[C@@H](C1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AG74116
ChemicalName:
Cis-methyl-3-hydroxycyclobutane-1-carboxylate
CasNumber:
63485-50-7
MolecularFormula:
C6H10O3
MolecularWeight:
130.1418
MdlNumber:
MFCD18483124
Smiles:
COC(=O)[C@@H]1C[C@@H](C1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(ccc1OC)c1nn(cc1/C=C/1SC(=S)N(C1=O)CC(=O)O)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(ccc1OC)c1nn(cc1/C=C/1SC(=S)N(C1=O)CC(=O)O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__