AB43127
34840-23-8 | 1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudourea
Manufacturer: A2B Chem
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CatalogNumber
AB43127
ChemicalName
1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudourea
CasNumber
34840-23-8
MolecularFormula
C6H10N2O4S
MolecularWeight
206.2196
MdlNumber
MFCD00674104
Smiles
COC(=O)NC(=NC(=O)OC)SC
Complexity
229
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedBondStereocenterCount
1
Xlogp3
1.7
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CatalogNumber: AB43127
ChemicalName: 1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudourea
CasNumber: 34840-23-8
MolecularFormula: C6H10N2O4S
MolecularWeight: 206.2196
MdlNumber: MFCD00674104
Smiles: COC(=O)NC(=NC(=O)OC)SC
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedBondStereocenterCount: 1
Xlogp3: 1.7
CatalogNumber:
AB43127
ChemicalName:
1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudourea
CasNumber:
34840-23-8
MolecularFormula:
C6H10N2O4S
MolecularWeight:
206.2196
MdlNumber:
MFCD00674104
Smiles:
COC(=O)NC(=NC(=O)OC)SC
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedBondStereocenterCount:
1
Xlogp3:
1.7
CatalogNumber: AB43128
ChemicalName: 1,3-Bis[3,5-bis(trifluoromethyl)phenyl]thiourea
CasNumber: 1060-92-0
MolecularFormula: C17H8F12N2S
MolecularWeight: 500.3047
MdlNumber: MFCD00829878
Smiles: S=C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Complexity: 556
Covalently-bondedUnitCount: 1
HeavyAtomCount: 32
HydrogenBondAcceptorCount: 13
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedBondStereocenterCount: __
Xlogp3: 6.6
CatalogNumber:
AB43128
ChemicalName:
1,3-Bis[3,5-bis(trifluoromethyl)phenyl]thiourea
CasNumber:
1060-92-0
MolecularFormula:
C17H8F12N2S
MolecularWeight:
500.3047
MdlNumber:
MFCD00829878
Smiles:
S=C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Complexity:
556
Covalently-bondedUnitCount:
1
HeavyAtomCount:
32
HydrogenBondAcceptorCount:
13
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedBondStereocenterCount:
__
Xlogp3:
6.6
CatalogNumber: AB43129
ChemicalName: Cyclohexane-1,3-dione
CasNumber: 504-02-9
MolecularFormula: C6H8O2
MolecularWeight: 112.1265
MdlNumber: MFCD00001585
Smiles: O=C1CCCC(=O)C1
Complexity: 113
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedBondStereocenterCount: __
Xlogp3: __
CatalogNumber:
AB43129
ChemicalName:
Cyclohexane-1,3-dione
CasNumber:
504-02-9
MolecularFormula:
C6H8O2
MolecularWeight:
112.1265
MdlNumber:
MFCD00001585
Smiles:
O=C1CCCC(=O)C1
Complexity:
113
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedBondStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB43130
ChemicalName: 1,3-Cyclopentanedione
CasNumber: 3859-41-4
MolecularFormula: C5H6O2
MolecularWeight: 98.0999
MdlNumber: MFCD00001405
Smiles: O=C1CCC(=O)C1
Complexity: 101
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedBondStereocenterCount: __
Xlogp3: -0.4
CatalogNumber:
AB43130
ChemicalName:
1,3-Cyclopentanedione
CasNumber:
3859-41-4
MolecularFormula:
C5H6O2
MolecularWeight:
98.0999
MdlNumber:
MFCD00001405
Smiles:
O=C1CCC(=O)C1
Complexity:
101
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedBondStereocenterCount:
__
Xlogp3:
-0.4